SCHEMBL1247060

SCHEMBL1247060

Cc1onc(-c2ccc(C3=CCC(C(=O)O)CC3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.51
SCN5A Q14524 6/20 0.51
NTRK1 P04629 2/20 0.39
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PTGS2 P35354 1/20 0.35
RORC P51449 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL1246383 0.94 SCN9A (0.51) SCN9ASCN5ANTRK1MAPTGAA
SCHEMBL3706752 0.87 LPAR1 (0.45) SCN9ASCN5AMAPTGAANPSR1
SCHEMBL1245184 0.85 SCN9A (0.53) SCN9ASCN5ANTRK1MAPTGAA
SCHEMBL3707275 0.83 LPAR1 (0.40) SCN9ASCN5AMAPTGAANPSR1
SCHEMBL11896414 0.82 LPAR1 (0.49) SCN9ASCN5AMAPTGAANPSR1
SCHEMBL1247566 0.82 SCN9A (0.59) SCN9ASCN5ANTRK1MAPTGAA
SCHEMBL1247206 0.81 SCN9A (0.61) SCN9ASCN5ANTRK1MAPTGAA
SCHEMBL1245362 0.80 SCN9A (0.57) SCN9ASCN5ANTRK1MAPTGAA
SCHEMBL1247179 0.80 SCN9A (0.55) SCN9ASCN5ANTRK1MAPTGAA
SCHEMBL1246319 0.80 SCN9A (0.53) SCN9ASCN5ANTRK1MAPTGAA

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