SCHEMBL3705535

SCHEMBL3705535

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.38
KDM4E B2RXH2 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
TP53 P04637 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PTGER4 P35408 1/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
DGAT1 O75907 2/20 0.31
SOAT1 P35610 1/20 0.31
MAPT P10636 1/20 0.31
NR1H4 Q96RI1 2/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL3704734 0.93 KDM4E (0.35) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL2335539 0.90 LPAR1 (0.45) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL3712524 0.89 LPAR1 (0.42) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL3709661 0.87 LPAR1 (0.41) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL1246914 0.87 KDM4E (0.39) KDM4ETP53NPC1PTGER4NR1H4
SCHEMBL3702315 0.86 LPAR1 (0.40) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL3708422 0.85 KDM4E (0.40) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL2333912 0.85 DGAT1 (0.41) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL3710544 0.85 LPAR1 (0.42) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL2341053 0.84 LPAR1 (0.42) LPAR1KDM4ELPAR2LPAR3TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-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