SCHEMBL2337677

SCHEMBL2337677

Cc1ccccc1CCOC(=O)Nc1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.64
LPAR3 Q9UBY5 4/20 0.59
LPAR2 Q9HBW0 2/20 0.59
ABCC4 O15439 2/20 0.43
ABCC3 O15438 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
ABCB4 P21439 1/20 0.43
ABCC2 Q92887 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ENPP2 Q13822 1/20 0.39
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 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
SCHEMBL2338268 0.92 LPAR1 (0.68) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL2335542 0.91 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL1286658 0.90 LPAR1 (0.68) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL2341140 0.90 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL2340515 0.88 LPAR1 (0.59) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL3704162 0.88 LPAR1 (0.63) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL2341057 0.87 LPAR1 (0.57) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL3712525 0.87 LPAR1 (0.57) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL3700613 0.87 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC4ABCC3
SCHEMBL3709662 0.87 LPAR1 (0.56) LPAR1LPAR3LPAR2ABCC4ABCC3

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 3 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-2010077883-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