SCHEMBL9020737

SCHEMBL9020737

C=CC(=O)NC(C)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.67
PPARG P37231 4/20 0.56
TAAR1 Q96RJ0 1/20 0.56
SIGMAR1 Q99720 1/20 0.55
MAOB P27338 1/20 0.54
LTA4H P09960 1/20 0.53
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PPARA Q07869 2/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51

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
SCHEMBL9694817 0.88 TAAR1 (0.69) ACACBTAAR1SIGMAR1NPC1RAB9A
SCHEMBL16541091 0.87 SIGMAR1 (0.60) ACACBPPARGSIGMAR1MAOBLTA4H
SCHEMBL16552348 0.84 ACACB (0.63) ACACBPPARGSIGMAR1MAOBLTA4H
SCHEMBL20943572 0.84 ACACB (0.63) ACACBPPARGSIGMAR1MAOBLTA4H
SCHEMBL1123162 0.83 ACACB (0.67) ACACBSIGMAR1MAOBNPC1RAB9A
SCHEMBL12001666 0.82 ACACB (0.82) ACACB
SCHEMBL8416595 0.82 MAOB (0.56) PPARGMAOBLTA4HMMEACE
SCHEMBL19930027 0.80 BCL2 (0.59) PPARGSIGMAR1MAOBLTA4HMME
SCHEMBL12532786 0.80 BCL2 (0.59) PPARGSIGMAR1MAOBLTA4HMME
SCHEMBL11211220 0.80 ALOX5 (0.54) ACACBPPARGSIGMAR1MAOBLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed