SCHEMBL3772519

SCHEMBL3772519

CCCCCCCCCCCCCC=CC(O)C(COP(O)(O)=S)[N+](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 5/20 0.51
▸ LPAR1 Q92633 3/20 0.51
▸ LPAR2 Q9HBW0 2/20 0.51
▸ S1PR1 P21453 3/20 0.51
▸ S1PR4 O95977 2/20 0.51
▸ S1PR3 Q99500 2/20 0.51
▸ S1PR5 Q9H228 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ S1PR2 O95136 1/20 0.51
▸ TSPO P30536 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ SGPL1 O95470 4/20 0.47
▸ BLM P54132 3/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ PLA2G4A P47712 3/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3777505 0.87 S1PR1 (0.68) LPAR3LPAR1LPAR2S1PR1S1PR4
SCHEMBL19005913 0.82 S1PR1 (0.52) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL3763587 0.81 S1PR1 (0.76) LPAR3LPAR1LPAR2S1PR1S1PR4
SCHEMBL3772063 0.79 SPHK2 (0.62) LPAR3LPAR1LPAR2S1PR1S1PR4
SCHEMBL2854224 0.77 S1PR1 (0.46) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL15235841 0.77 SPHK2 (0.61) ALDH1A1BLMMEN1KMT2AMAPT
SCHEMBL1512942 0.77 SPHK2 (0.61) ALDH1A1BLMMEN1KMT2AMAPT
SCHEMBL22986833 0.77 SPHK2 (0.61) ALDH1A1BLMMEN1KMT2AMAPT
Phosphoric Acid SCHEMBL6665386 0.77 MAPT (0.54) S1PR1S1PR4S1PR3S1PR5ALDH1A1
Iodide SCHEMBL5689882 0.76 SPHK2 (0.59) ALDH1A1BLMMEN1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190183910-A1 ENHANCING DNA REPAIR AND PREVENTING AGING AND ITS CONSEQUENCES IN REPRODUCTIVE AND OTHER CELLS OKTAY, KUTLUK (US) 2019-06-20 — — US claimed
US-5877167-A Method for inhibition of cell motility by sphingosine-1-phosphate and its derivatives OTSUKA AMERICA PHARMACEUTICAL, INC. (US) 1999-03-02 — — US claimed
EP-0671917-A4 METHOD FOR INHIBITION OF CELL MOTILITY BY SPHINGOSINE-1-PHOSPHATE, ITS DERIVATIVES AND MIMETICS AND METHOD OF SYNTHESIZING SPHINGOSINE-1-PHOSPHATE AND ITS DERIVATIVES. BIOMEMBRANE INST (US) 1997-06-18 — — EP claimed
EP-0671917-A1 METHOD FOR INHIBITION OF CELL MOTILITY BY SPHINGOSINE-1-PHOSPHATE, ITS DERIVATIVES AND MIMETICS AND METHOD OF SYNTHESIZING SPHINGOSINE-1-PHOSPHATE AND ITS DERIVATIVES ONCOMEMBRANE, INC. (US) 1995-09-20 — — EP claimed
US-5260288-A Administering an inflammation inhibitory amount THE BIOMEMBRANE INSTITUTE (US) 1993-11-09 — — US claimed
WO-1993019760-A1 METHOD FOR INHIBITION OF CELL MOTILITY BY SPHINGOSINE-1-PHOSPHATE, ITS DERIVATIVES AND MIMETICS AND METHOD OF SYNTHESIZING SPHINGOSINE-1-PHOSPHATE AND ITS DERIVATIVES THE BIOMEMBRANE INSTITUTE (US) 1993-10-14 — — WO claimed
US-20190183910-A1 ENHANCING DNA REPAIR AND PREVENTING AGING AND ITS CONSEQUENCES IN REPRODUCTIVE AND OTHER CELLS OKTAY, KUTLUK (US) 2019-06-20 — — US disclosed
WO-2017223152-A1 ENHANCING DNA REPAIR AND PREVENTING AGING AND ITS CONSEQUENCES IN REPRODUCTIVE AND OTHER CELLS NEW YORK MEDICAL COLLEGE (US) 2017-12-28 — — WO disclosed
US-7850984-B2 Protection of the female reproductive system from natural and artificial insults THE GENERAL HOSPITAL CORPORATION (US) 2010-12-14 — — US disclosed
US-20070157331-A1 Protection of female reproductive system from natural and artifical insults MASSACHUSETTS GENERAL HOSPITAL, PARTNERS HEALTHCARE RESEARCH VENTURES & LICENSING (US) 2007-07-05 — — US disclosed
US-7195775-B1 Protection of the female reproductive system from natural and artificial insults THE GENERAL HOSPITAL CORPORATION (US) 2007-03-27 — — US disclosed
WO-2004014271-A1 PROTECTION OF THE FEMALE REPRODUCTIVE SYSTEM FROM NATURAL AND ARTIFICIAL INSULTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2004-02-19 — — WO disclosed
US-20030157086-A1 Protection of the female reproductive system from natural and artificial insults SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-08-21 — — US disclosed
US-5877167-A Method for inhibition of cell motility by sphingosine-1-phosphate and its derivatives OTSUKA AMERICA PHARMACEUTICAL, INC. (US) 1999-03-02 — — US disclosed
US-5663404-A ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS ONCOMEMBRANE (US) 1997-09-02 — — US disclosed
EP-0671917-A4 METHOD FOR INHIBITION OF CELL MOTILITY BY SPHINGOSINE-1-PHOSPHATE, ITS DERIVATIVES AND MIMETICS AND METHOD OF SYNTHESIZING SPHINGOSINE-1-PHOSPHATE AND ITS DERIVATIVES. BIOMEMBRANE INST (US) 1997-06-18 — — EP disclosed
EP-0671917-A1 METHOD FOR INHIBITION OF CELL MOTILITY BY SPHINGOSINE-1-PHOSPHATE, ITS DERIVATIVES AND MIMETICS AND METHOD OF SYNTHESIZING SPHINGOSINE-1-PHOSPHATE AND ITS DERIVATIVES ONCOMEMBRANE, INC. (US) 1995-09-20 — — EP disclosed
US-5391800-A Protecting hydroxyl groups of sphingosine, deprotecting C1, phosphorylating, deprotecting C3; free of L-threo isomer THE BIOMEMBRANE INSTITUTE (US) 1995-02-21 — — US disclosed
US-5260288-A Administering an inflammation inhibitory amount THE BIOMEMBRANE INSTITUTE (US) 1993-11-09 — — US disclosed
WO-1993019760-A1 METHOD FOR INHIBITION OF CELL MOTILITY BY SPHINGOSINE-1-PHOSPHATE, ITS DERIVATIVES AND MIMETICS AND METHOD OF SYNTHESIZING SPHINGOSINE-1-PHOSPHATE AND ITS DERIVATIVES THE BIOMEMBRANE INSTITUTE (US) 1993-10-14 — — WO disclosed
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