SCHEMBL3706752

SCHEMBL3706752

Cc1noc(-c2ccc(C3=CCC(C(=O)O)CC3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.45
LPAR3 Q9UBY5 3/20 0.45
LPAR2 Q9HBW0 2/20 0.45
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SCN9A Q15858 3/20 0.40
SCN5A Q14524 2/20 0.40
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ABCB4 P21439 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 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
SCHEMBL3707275 0.94 LPAR1 (0.40) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3710136 0.92 LPAR1 (0.42) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL1247060 0.87 SCN9A (0.51) MAPTKDM4ESCN9ASCN5AALDH1A1
SCHEMBL3706624 0.86 SCN9A (0.38) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3712506 0.85 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL1246383 0.83 SCN9A (0.51) MAPTKDM4ESCN9ASCN5AALDH1A1
SCHEMBL12468286 0.82 MAPT (0.48) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL13283821 0.82 LPAR1 (0.66) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2335320 0.82 LPAR1 (0.53) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2332531 0.81 LPAR1 (0.52) LPAR1LPAR3LPAR2MAPTKDM4E

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