SCHEMBL3383402

SCHEMBL3383402

CCCCP(=O)(O)OC(=O)CC[C@H](N)C(=O)OP(=O)(O)CCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.38
S1PR2 O95136 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR4 O95977 4/20 0.37
P2RY10 O00398 8/20 0.37
GPR34 Q9UPC5 4/20 0.37
GPR174 Q9BXC1 4/20 0.37
GABBR2 O75899 1/20 0.35
GABRR1 P24046 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35

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
SCHEMBL3382537 0.92 P2RY10 (0.33) S1PR2S1PR1S1PR3S1PR4P2RY10
SCHEMBL3384123 0.86 CYP2D6 (0.33) LAP3P2RY10GPR34GPR174
SCHEMBL15757364 0.80 GCLC (0.45)
SCHEMBL3380549 0.77 S1PR2 (0.46) S1PR2S1PR1S1PR3S1PR4
SCHEMBL3382375 0.76 SLC1A1 (0.33) P2RY10GPR34GPR174
SCHEMBL4751449 0.75 CA4 (0.37)
SCHEMBL3659563 0.75 CA4 (0.37)
SCHEMBL23929241 0.74 LPAR1 (0.43) P2RY10GPR34GPR174
SCHEMBL10671206 0.74 CA4 (0.35)
Ammonia Solution, Strong SCHEMBL28656082 0.74 CA4 (0.35)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443954-B1 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES SCRIPPS RESEARCH INST (US) 2010-11-24 EP disclosed
US-7399743-B2 Targeted thrombosis THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-15 US disclosed
EP-1443954-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES Novartis Pharma GmbH (AT) 2004-08-11 EP disclosed
US-20030194400-A1 Targeted thrombosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-16 US disclosed
WO-2003035688-A2 TARGETED THROMBOSIS BY TISSUE FACTOR POLYPEPTIDES NOVARTIS PHARMA GMBH (AT) 2003-05-01 WO disclosed
US-5863536-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME INHIBITOR FOR THE TREATMENT OF GLUTAMATE ABNORMALITIES AND ASSOCIATED NERVOUS TISSUE ISCHEMIA IN A ANIMAL AND FOR TREATMENT OF PROSTATE DISEASE GUILFORD PHARMACEUTICALS INC. (US) 1999-01-26 US disclosed