SCHEMBL7714173

SCHEMBL7714173

CCCCCCCCc1ccc(CCC(CCOC(C)=O)(CCOC(C)=O)NC(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.48
S1PR1 P21453 4/20 0.48
S1PR4 O95977 3/20 0.48
S1PR3 Q99500 3/20 0.48
SGPL1 O95470 1/20 0.48
GPR183 P32249 1/20 0.48
CERS2 Q96G23 1/20 0.48
S1PR5 Q9H228 1/20 0.48
SPHK2 Q9NRA0 3/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
FAAH O00519 1/20 0.44
S1PR2 O95136 2/20 0.43
SPHK1 Q9NYA1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HAO1 Q9UJM8 1/20 0.42
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42

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
SCHEMBL7616465 0.96 TNNC1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7712090 0.95 S1PR1 (0.46) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7618091 0.94 S1PR1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7619569 0.94 S1PR1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7620402 0.94 S1PR1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8498832 0.90 S1PR1 (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8529514 0.90 S1PR1 (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL4917300 0.90 S1PR1 (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8498503 0.90 S1PR1 (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL7616417 0.89 TNNC1 (0.42) TNNC1S1PR1S1PR4S1PR3SGPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372800-B1 IMMUNOSUPPRESSIVE EFFECT AND IS USEFUL AS AN INHIBITOR FOR THE REJECTION REACTION OCCURRING IN ORGAN OR BONE MARROW TRANSPLANTATION, AND AS A PREVENTIVE OR REMEDY FOR ARTICULAR RHEUMATISM, ATOPIC ECZEMA (DERMATITIS), BEHCET'S DISEASE, MITSUBISHI PHARMA CORPORATION (JP) 2002-04-16 US disclosed
US-6187821-B1 SUCH AS 2-AMINO-2-(3-(4-HEPTYLPHENYL)PROPYL)BUTANE-1,4-DIOL; IMMUNOSUPPRESSANT; ADMINISTERING TO TREAT OR PREVENT AUTOIMMUNE DISEASES AND ALLERGIES WELFIDE CORPORATION (JP) 2001-02-13 US disclosed