SCHEMBL3714009

SCHEMBL3714009

Cc1noc(-c2ccc(Cc3cc(CC(=O)O)ccc3F)cc2)c1NC(=O)OCCc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.52
LPAR3 Q9UBY5 3/20 0.49
LPAR2 Q9HBW0 2/20 0.49
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
ABCB4 P21439 1/20 0.37
ABCC2 Q92887 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
FFAR1 O14842 3/20 0.35
PPARD Q03181 3/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33

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
SCHEMBL3712525 0.93 LPAR1 (0.57) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3713387 0.93 LPAR1 (0.51) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3708490 0.92 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2335542 0.92 LPAR1 (0.61) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3709662 0.89 LPAR1 (0.56) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3702317 0.88 LPAR1 (0.55) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3712293 0.87 LPAR1 (0.49) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2333914 0.86 LPAR1 (0.51) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3706562 0.86 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3705147 0.85 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTKDM4E

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
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed