SCHEMBL1246461

SCHEMBL1246461

Cc1onc(-c2ccc(COc3ccccc3CC(=O)O)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.54
SCN5A Q14524 6/20 0.54
NTRK1 P04629 1/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL1245337 0.90 SCN9A (0.54) SCN9ASCN5APPARDLPAR1LPAR2
SCHEMBL1245362 0.89 SCN9A (0.57) SCN9ASCN5ANTRK1LPAR1LPAR2
SCHEMBL1245296 0.88 SCN9A (0.55) SCN9ASCN5ANTRK1LPAR1LPAR2
SCHEMBL1245178 0.87 SCN9A (0.55) SCN9ASCN5ANTRK1PPARDLPAR1
SCHEMBL3707309 0.87 LPAR1 (0.55) SCN9ASCN5APPARDLPAR1LPAR2
SCHEMBL1247134 0.86 SCN9A (0.56) SCN9ASCN5ANTRK1GAAMAPT
SCHEMBL1246481 0.86 SCN9A (0.54) SCN9ASCN5ANTRK1PPARDLPAR1
SCHEMBL1247143 0.85 SCN9A (0.54) SCN9ASCN5ANTRK1LPAR1LPAR2
SCHEMBL1247750 0.85 SCN9A (0.51) SCN9ASCN5ANTRK1PPARDLPAR1
SCHEMBL11895994 0.85 LPAR1 (0.59) SCN9ASCN5ANTRK1PPARDLPAR1

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