SCHEMBL2338262

SCHEMBL2338262

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.50
LPAR2 Q9HBW0 2/20 0.50
LPAR3 Q9UBY5 2/20 0.50
NR1H4 Q96RI1 6/20 0.39
PPARD Q03181 6/20 0.37
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 1/20 0.37
FABP1 P07148 1/20 0.36
FABP4 P15090 1/20 0.36
DGAT1 O75907 2/20 0.34
SOAT1 P35610 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL3704161 0.96 LPAR1 (0.47) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3700609 0.95 LPAR1 (0.46) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3714465 0.94 LPAR1 (0.45) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3702333 0.93 LPAR1 (0.44) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL2339543 0.93 LPAR1 (0.42) LPAR1LPAR2LPAR3HTT
SCHEMBL3702563 0.92 NR1H4 (0.46) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL2335497 0.92 LPAR1 (0.45) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL3712765 0.92 LPAR1 (0.43) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL2338127 0.91 LPAR1 (0.44) LPAR1LPAR2LPAR3NR1H4PPARD
SCHEMBL2335596 0.91 DGAT1 (0.44) LPAR1LPAR2LPAR3NR1H4PPARD

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed