SCHEMBL2336728

SCHEMBL2336728

Cc1noc(-c2ccc(-c3ccc([C@@H](C)C(=O)O)cc3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.54
LPAR3 Q9UBY5 3/20 0.54
LPAR2 Q9HBW0 2/20 0.54
ABCC3 O15438 1/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
ABCB4 P21439 1/20 0.47
ABCC2 Q92887 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SCN9A Q15858 3/20 0.42
SCN5A Q14524 2/20 0.42
PTGS2 P35354 2/20 0.39
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL2334190 1.00 LPAR1 (0.54) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL3710246 0.92 LPAR1 (0.51) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2337991 0.92 LPAR1 (0.51) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2337612 0.90 LPAR1 (0.51) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2341082 0.90 LPAR1 (0.51) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2335990 0.90 LPAR1 (0.51) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2335320 0.87 LPAR1 (0.53) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL1245118 0.86 SCN9A (0.55) LPAR1LPAR3LPAR2MAPTSCN9A
SCHEMBL1247241 0.86 SCN9A (0.55) LPAR1LPAR3LPAR2MAPTSCN9A
SCHEMBL2338268 0.85 LPAR1 (0.68) LPAR1LPAR3LPAR2ABCC3ABCC4

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-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP claimed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed