SCHEMBL4182564

SCHEMBL4182564

BrCc1cccc(OCc2ccccc2)c1.CCOP(=O)(Cc1cccc(OCc2ccccc2)c1)OCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.53
MAOB P27338 5/20 0.47
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MAOA P21397 1/20 0.44
NR4A2 P43354 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
SMPD1 P17405 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL1011307 0.94 MAOB (0.53) BCHEMAOBCYP4F2CYP4A11MAOA
SCHEMBL3922951 0.84 CCNT1 (0.42)
SCHEMBL80829 0.81 MAOB (0.68) BCHEMAOBCYP4F2CYP4A11MAOA
SCHEMBL29411728 0.81 MAOB (0.68) BCHEMAOBCYP4F2CYP4A11MAOA
SCHEMBL24646015 0.81 CYP4F2 (0.55) BCHEMAOBCYP4F2CYP4A11MAOA
SCHEMBL30211112 0.81 CYP4F2 (0.55) BCHEMAOBCYP4F2CYP4A11MAOA
SCHEMBL10867669 0.80 CETP (0.52)
SCHEMBL8011004 0.80 ALOX5 (0.51) BCHEMAOBNR4A2
SCHEMBL915329 0.78 KDM4E (0.46) CYP2D6
SCHEMBL2074050 0.78 FFAR1 (0.45) CYP2D6

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-2076508-A2 BIARYL ETHER UREA COMPOUNDS Pfizer Products Inc. (US) 2009-07-08 EP disclosed
WO-2008047229-A2 BIARYL ETHER UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-04-24 WO disclosed