SCHEMBL7102017

SCHEMBL7102017

CCOC(=O)CNc1ccc(CCBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
MAPT P10636 4/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
PPID Q08752 4/20 0.46
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
PPIB P23284 1/20 0.43
PPIA P62937 1/20 0.43
PPIG Q13427 1/20 0.43
CYP4Z1 Q86W10 2/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDH1 O75874 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL7103590 0.86 CYP4F2 (0.64) POLBMAPTCYP4F2CYP4A11PPID
SCHEMBL23310021 0.84 POLB (0.66) POLBMAPTCYP4F2CYP4A11PPID
SCHEMBL9742443 0.84 POLB (0.61) POLBMAPTCYP4F2CYP4A11PPID
SCHEMBL7345267 0.83 MAPT (0.65) POLBMAPTPPIDKDM4EHTT
SCHEMBL28088277 0.81 POLB (0.58) POLBMAPTCYP4F2CYP4A11PPID
SCHEMBL12924931 0.81 POLB (0.61) POLBMAPTPPIDKDM4EHTT
SCHEMBL4035087 0.80 POLB (0.65) POLBMAPTPPIDKDM4EHTT
SCHEMBL7103144 0.79 LMNA (0.44) POLBMAPTCYP4F2CYP4A11PPID
SCHEMBL6024761 0.79 CYP4F2 (0.53) MAPTCYP4F2CYP4A11KDM4ECYP4Z1
SCHEMBL1372423 0.79 POLB (0.63) POLBMAPTPPIDKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043308-B1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2003-09-24 EP disclosed
US-6353025-B1 COMPOUNDS AS DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed