SCHEMBL3700514

SCHEMBL3700514

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(-c2ccc(C(=O)O)nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
LPAR3 Q9UBY5 2/20 0.37
HIF1A Q16665 2/20 0.36
ALOX5 P09917 3/20 0.35
ALOX5AP P20292 3/20 0.35
CTSA P10619 1/20 0.34
ACR P10323 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
F9 P00740 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P4HTM Q9NXG6 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3707761 0.93 DUSP3 (0.35) LPAR1LPAR2LPAR3HIF1ACTSA
SCHEMBL3711509 0.91 ACR (0.36) LPAR1LPAR2LPAR3HIF1AACR
SCHEMBL2335317 0.88 LPAR1 (0.38) LPAR1LPAR2LPAR3NR1H4KDM4E
SCHEMBL3711048 0.85 ALDH1A1 (0.37) LPAR1LPAR2LPAR3CTSAACR
SCHEMBL3711407 0.85 ACR (0.36) HIF1AACRNR1H4L3MBTL1F9
SCHEMBL2338262 0.84 LPAR1 (0.50) LPAR1LPAR2LPAR3NR1H4
SCHEMBL3711161 0.84 LDHA (0.41) LPAR1LPAR2LPAR3ALOX5ALOX5AP
SCHEMBL3712570 0.84 CYP2C9 (0.36) LPAR1LPAR2LPAR3CTSANR1H4
SCHEMBL2332523 0.84 MAPT (0.40) LPAR1LPAR2LPAR3ACRL3MBTL1
SCHEMBL2336147 0.84 NR1H4 (0.42) NR1H4

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