SCHEMBL2338529

SCHEMBL2338529

CCOC(=O)N(c1cccc(Br)c1)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.44
LPAR2 Q9HBW0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
SLC26A6 Q9BXS9 1/20 0.36
CACNA1F O60840 1/20 0.35
ABCB1 P08183 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
ENPP2 Q13822 2/20 0.34
ABCC4 O15439 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 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
SCHEMBL3702406 0.93 ALDH1A1 (0.36) LPAR1LPAR2LPAR3SLC26A6CACNA1F
SCHEMBL2335503 0.92 LPAR1 (0.44) LPAR1LPAR2LPAR3ENPP2ABCC4
SCHEMBL2341767 0.90 LPAR1 (0.44) LPAR1LPAR2LPAR3ENPP2ABCC4
SCHEMBL1286656 0.90 LPAR1 (0.48) LPAR1LPAR2LPAR3ENPP2ABCC4
SCHEMBL9998264 0.89 LPAR1 (0.48) LPAR1LPAR2LPAR3ENPP2ABCC4
SCHEMBL2333488 0.87 HDAC1 (0.43) LPAR1LPAR2LPAR3MAPTRXRA
SCHEMBL1245253 0.85 CACNA1F (0.42) LPAR1CACNA1FABCB1CACNA1DCACNA1S
SCHEMBL3714448 0.85 LPAR1 (0.41) LPAR1LPAR2LPAR3ENPP2TP53
SCHEMBL2635850 0.84 LPAR1 (0.46) LPAR1LPAR3SLC26A6CACNA1FABCB1
SCHEMBL2337280 0.84 ALDH1A1 (0.36) LPAR1LPAR2LPAR3HTTMAPT

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