SCHEMBL1246478

SCHEMBL1246478

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.52
SCN5A Q14524 6/20 0.52
LPAR1 Q92633 2/20 0.46
LPAR2 Q9HBW0 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
NR1H4 Q96RI1 4/20 0.41
ENPP2 Q13822 1/20 0.39
PTGS2 P35354 1/20 0.38
FABP1 P07148 1/20 0.38
FABP4 P15090 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NTRK1 P04629 1/20 0.38

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
SCHEMBL1246468 0.94 SCN9A (0.55) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1245362 0.93 SCN9A (0.57) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1246481 0.90 SCN9A (0.54) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1245178 0.90 SCN9A (0.55) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1246308 0.89 SCN9A (0.55) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1247366 0.88 LPAR1 (0.49) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1246466 0.88 SCN9A (0.50) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1245337 0.88 SCN9A (0.54) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL3702336 0.87 LPAR1 (0.60) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1246952 0.87 SCN9A (0.52) SCN9ASCN5ALPAR1LPAR2LPAR3

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