SCHEMBL2335596

SCHEMBL2335596

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.44
SOAT1 P35610 5/20 0.44
LPAR1 Q92633 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
NR1H4 Q96RI1 5/20 0.39
FABP1 P07148 1/20 0.39
PPARD Q03181 7/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 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
SCHEMBL2338127 0.93 LPAR1 (0.44) DGAT1SOAT1LPAR1LPAR2LPAR3
SCHEMBL2337556 0.93 DGAT1 (0.43) DGAT1SOAT1LPAR1LPAR2LPAR3
SCHEMBL2338262 0.91 LPAR1 (0.50) DGAT1SOAT1LPAR1LPAR2LPAR3
SCHEMBL3714465 0.91 LPAR1 (0.45) DGAT1LPAR1LPAR2LPAR3NR1H4
SCHEMBL3702333 0.90 LPAR1 (0.44) DGAT1SOAT1LPAR1LPAR2LPAR3
SCHEMBL3704161 0.90 LPAR1 (0.47) DGAT1SOAT1LPAR1LPAR2LPAR3
SCHEMBL2336523 0.88 LPAR1 (0.41) DGAT1SOAT1LPAR1LPAR2LPAR3
SCHEMBL3700609 0.88 LPAR1 (0.46) LPAR1LPAR2LPAR3NR1H4FABP1
SCHEMBL2337108 0.88 PPARD (0.47) DGAT1SOAT1LPAR1LPAR2LPAR3
SCHEMBL2340276 0.86 LPAR1 (0.37) DGAT1SOAT1LPAR1LPAR2LPAR3

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 4 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
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