SCHEMBL1247366

SCHEMBL1247366

Cc1onc(-c2ccc3cc(-c4ccc(CSCCC(=O)O)cc4)ccc3c2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.49
LPAR2 Q9HBW0 2/20 0.49
LPAR3 Q9UBY5 2/20 0.49
SCN9A Q15858 9/20 0.47
SCN5A Q14524 6/20 0.47
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL1246478 0.88 SCN9A (0.52) LPAR1LPAR2LPAR3SCN9ASCN5A
SCHEMBL3703837 0.88 LPAR1 (0.62) LPAR1LPAR2LPAR3SCN9ASCN5A
SCHEMBL11896023 0.84 LPAR1 (0.70) LPAR1LPAR2LPAR3SCN9ASCN5A
SCHEMBL1247214 0.84 SCN9A (0.56) LPAR1LPAR2LPAR3SCN9ASCN5A
SCHEMBL1246468 0.83 SCN9A (0.55) LPAR1LPAR2LPAR3SCN9ASCN5A
SCHEMBL1246287 0.82 SCN9A (0.55) LPAR1LPAR2LPAR3SCN9ASCN5A
SCHEMBL3707427 0.82 LPAR1 (0.54) LPAR1LPAR2LPAR3SCN9ASCN5A
SCHEMBL9985320 0.82 LPAR1 (0.70) LPAR1LPAR2LPAR3SCN9ASCN5A
SCHEMBL1245362 0.81 SCN9A (0.57) LPAR1LPAR2LPAR3SCN9ASCN5A
SCHEMBL1247143 0.80 SCN9A (0.54) LPAR1LPAR2LPAR3SCN9ASCN5A

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
EP-2462128-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed