SCHEMBL1246440

SCHEMBL1246440

Cc1onc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)OCCc1ccc(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.46
SCN5A Q14524 5/20 0.46
FFAR1 O14842 5/20 0.40
PPARD Q03181 2/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1247304 0.92 SCN9A (0.50) SCN9ASCN5APPARDLPAR1LPAR2
SCHEMBL1245263 0.91 SCN9A (0.42) SCN9ASCN5AFFAR1LPAR1LPAR2
SCHEMBL1247345 0.90 FFAR1 (0.42) SCN9ASCN5AFFAR1
SCHEMBL1247626 0.88 SCN9A (0.40) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1245272 0.88 SCN9A (0.45) SCN9ASCN5APPARDLPAR1LPAR2
SCHEMBL2337499 0.86 LPAR1 (0.54) FFAR1PPARDLPAR1LPAR2LPAR3
SCHEMBL1245362 0.85 SCN9A (0.57) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1247570 0.84 SCN9A (0.46) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1247293 0.83 SCN9A (0.52) SCN9ASCN5ALPAR1LPAR2LPAR3
SCHEMBL1246325 0.82 SCN9A (0.46) 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