SCHEMBL2335539

SCHEMBL2335539

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.45
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
KDM4E B2RXH2 1/20 0.41
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
TP53 P04637 1/20 0.36
DGAT1 O75907 3/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
SOAT1 P35610 1/20 0.34
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 2/20 0.34
MAPT P10636 1/20 0.34
NR1H4 Q96RI1 1/20 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
SCHEMBL3712524 0.96 LPAR1 (0.42) LPAR1LPAR2LPAR3KDM4EABCC4
SCHEMBL3709661 0.95 LPAR1 (0.41) LPAR1LPAR2LPAR3KDM4ETP53
SCHEMBL3702315 0.94 LPAR1 (0.40) LPAR1LPAR2LPAR3KDM4EABCC4
SCHEMBL2341053 0.94 LPAR1 (0.42) LPAR1LPAR2LPAR3KDM4EABCC4
SCHEMBL2335475 0.93 KDM4E (0.39) LPAR1LPAR2LPAR3KDM4ELMNA
SCHEMBL3713385 0.90 PLA2G10 (0.38) LPAR1LPAR2LPAR3KDM4ETP53
SCHEMBL3705535 0.90 LPAR1 (0.38) LPAR1LPAR2LPAR3KDM4ETP53
SCHEMBL2333912 0.90 DGAT1 (0.41) LPAR1LPAR2LPAR3KDM4ETP53
SCHEMBL2336970 0.90 LPAR1 (0.44) LPAR1LPAR2LPAR3KDM4EABCC4
SCHEMBL2337674 0.90 LPAR1 (0.46) LPAR1LPAR2LPAR3ABCC4LMNA

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 5 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
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