SCHEMBL7103029

SCHEMBL7103029

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.62
CYP4A11 Q02928 5/20 0.62
CYP4Z1 Q86W10 4/20 0.41
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LTA4H P09960 1/20 0.39
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
ALOX5 P09917 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL7106566 0.87 CYP4F2 (0.45) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL22537802 0.86 HCRTR2 (0.44) CYP4F2CYP4A11CYP4Z1CA12CA1
SCHEMBL28703573 0.82 RAB9A (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL7448315 0.81 KMT2A (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL15986419 0.80 MAPT (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL557889 0.79 SMN1; SMN2 (0.55) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL8866817 0.78 CYP4F2 (0.57) CYP4F2CYP4A11CA2PPARAALDH1A1
SCHEMBL27768012 0.78 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL29194883 0.78 PPARG (0.51) ALDH1A1MAPTALOX5NPC1RAB9A
SCHEMBL7105765 0.78 CYP4F2 (0.50) 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