SCHEMBL1245153

SCHEMBL1245153

Cc1onc(-c2ccc(-c3ccc(C(C)(C)C(=O)O)cc3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.55
SCN5A Q14524 6/20 0.55
NTRK1 P04629 2/20 0.43
NR1H4 Q96RI1 1/20 0.42
PTGS2 P35354 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 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
SCHEMBL1246321 0.90 NTRK1 (0.45) SCN9ASCN5ANTRK1NR1H4MAPT
SCHEMBL1247566 0.87 SCN9A (0.59) SCN9ASCN5ANTRK1NR1H4PTGS2
SCHEMBL2338003 0.86 LPAR1 (0.50) SCN9ASCN5ANR1H4MAPTGAA
SCHEMBL1245362 0.85 SCN9A (0.57) SCN9ASCN5ANTRK1NR1H4PTGS2
SCHEMBL1247206 0.85 SCN9A (0.61) SCN9ASCN5ANTRK1MAPTGAA
SCHEMBL1247214 0.85 SCN9A (0.56) SCN9ASCN5ANTRK1NR1H4PTGS2
SCHEMBL1247241 0.84 SCN9A (0.55) SCN9ASCN5ANTRK1PTGS2MAPT
SCHEMBL1245118 0.84 SCN9A (0.55) SCN9ASCN5ANTRK1PTGS2MAPT
SCHEMBL1245322 0.83 SCN9A (0.57) SCN9ASCN5ANTRK1NR1H4PTGS2
SCHEMBL1246287 0.83 SCN9A (0.55) SCN9ASCN5ANTRK1NR1H4MAPT

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