SCHEMBL7106566

SCHEMBL7106566

CCOC(=O)CN(C)c1ccc(CCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP4Z1 Q86W10 4/20 0.40
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
MAPT P10636 2/20 0.36
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 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
SCHEMBL7103029 0.87 CYP4F2 (0.62) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL22537802 0.84 HCRTR2 (0.44) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL28703573 0.81 RAB9A (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL7448315 0.80 KMT2A (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL7107054 0.79 CYP4F2 (0.41) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL15986419 0.78 MAPT (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL6781618 0.78 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL557889 0.78 SMN1; SMN2 (0.55) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL6024761 0.78 CYP4F2 (0.53) CYP4F2CYP4A11CYP4Z1ALDH1A1TRPA1
SCHEMBL7103171 0.77 CA12 (0.40) CYP4F2CYP4A11CA12CA1CA2

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