SCHEMBL1123043

SCHEMBL1123043

CCCCc1ccc(COc2ccc(C(=O)N(CC(=O)OC)Cc3cccc(OCc4ccccc4)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.52
SLC2A1 P11166 5/20 0.52
SLC2A4 P14672 1/20 0.51
FFAR1 O14842 1/20 0.50
PTGES O14684 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMPD1 P17405 1/20 0.49
ALOX5 P09917 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL1123059 0.94 SMPD1 (0.54) BCHESLC2A1SLC2A4PTGESKMT2A
SCHEMBL1123224 0.93 BCHE (0.53) BCHEMEN1KMT2AALOX5NPC1
SCHEMBL1123087 0.91 FFAR1 (0.56) BCHESLC2A1SLC2A4FFAR1PTGES
SCHEMBL1122608 0.87 FFAR1 (0.59) BCHESLC2A1FFAR1PTGESMEN1
SCHEMBL1123126 0.86 BCHE (0.53) BCHESLC2A1FFAR1PTGESKMT2A
SCHEMBL1123374 0.85 BCHE (0.54) BCHEALOX5
SCHEMBL1123268 0.84 BCHE (0.56) BCHEFFAR1MEN1KMT2AALOX5
SCHEMBL1123120 0.83 BCHE (0.61) BCHEFFAR1PTGESSMPD1
SCHEMBL1123229 0.83 SLC2A1 (0.55) BCHESLC2A1SLC2A4FFAR1PTGES
SCHEMBL1123121 0.82 BCHE (0.56) BCHEFFAR1PTGESSMPD1ALOX5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed