SCHEMBL17609149

SCHEMBL17609149

COCCc1ccc(N(C)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.53
BCHE P06276 3/20 0.50
LTB4R Q15722 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.50
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
APP P05067 3/20 0.48
NOX1 Q9Y5S8 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
SCHEMBL4407617 0.89 ENPP2 (0.62) ENPP2BCHELTA4HEPHX2MEN1
SCHEMBL17609087 0.84 LTA4H (0.63) BCHELTB4RLTB4R2LTA4HEPHX2
SCHEMBL11473762 0.80 LTA4H (0.66) BCHELTA4HEPHX2MEN1KMT2A
SCHEMBL17602199 0.80 BCHE (0.49) BCHEALOX5NOX1
SCHEMBL17609267 0.79 MAOB (0.54) LTA4HALOX5APPNOX1
SCHEMBL17609128 0.78 ALOX5 (0.54) BCHELTB4RLTB4R2ALOX5APP
SCHEMBL25262863 0.78 APP (0.64) ENPP2BCHEMEN1KMT2AFFAR1
SCHEMBL17609148 0.78 MEN1 (0.68) ENPP2BCHEMEN1KMT2A
SCHEMBL10406182 0.78 TDP1 (0.64) BCHELTA4HEPHX2MEN1KMT2A
SCHEMBL17609119 0.77 ESR1 (0.45) ENPP2LTA4HKMT2A

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-3193601-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 EP disclosed
WO-2016044429-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 WO disclosed