SCHEMBL7332

SCHEMBL7332

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)N(C)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 13/20 0.61
ABCC3 O15438 1/20 0.61
ABCC4 O15439 1/20 0.61
ABCB11 O95342 1/20 0.61
CYP2C8 P10632 1/20 0.61
CYP2C9 P11712 1/20 0.61
ABCB4 P21439 1/20 0.61
ABCC2 Q92887 1/20 0.61
SLCO1B3 Q9NPD5 1/20 0.61
SLCO1B1 Q9Y6L6 1/20 0.61
LPAR3 Q9UBY5 5/20 0.41
LPAR2 Q9HBW0 2/20 0.41
NPY5R Q15761 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6130 0.91 LPAR1 (0.53) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7299 0.85 LPAR1 (0.62) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL5839 0.84 LPAR1 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL5995 0.83 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6695 0.83 LPAR1 (0.67) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL8070 0.82 LPAR1 (0.64) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7228 0.82 LPAR1 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1619 0.81 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6243 0.81 LPAR1 (0.65) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7331 0.81 LPAR1 (0.70) LPAR1ABCC3ABCC4ABCB11CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed