SCHEMBL1547571

SCHEMBL1547571

CC(C#Cc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)N1C(=O)c2ccccc2C1=O.CC(N)C#Cc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.45
ACACA Q13085 4/20 0.45
FFAR1 O14842 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PKM P14618 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL1547440 0.96 ACACB (0.48) ACACBACACAFFAR1TDP1BRD4
SCHEMBL2167110 0.87 ACACB (0.53) ACACBACACAFFAR1PPARGPPARD
SCHEMBL5942959 0.81 ACACB (0.48) ACACBACACATDP1
SCHEMBL5943048 0.80 ACACB (0.46) ACACBACACATDP1
SCHEMBL1547268 0.79 ACACB (0.62) ACACBACACA
SCHEMBL2169083 0.74 ACACB (0.66) ACACBACACA
SCHEMBL1618710 0.73 KMT2A (0.51) ACACBACACATDP1
SCHEMBL19984479 0.73 ACACB (0.55) ACACBACACAFFAR1PPARGPPARD
SCHEMBL5943027 0.72 ACACB (0.52) ACACBACACALTA4H
SCHEMBL1547269 0.71 ACACB (0.50) ACACBACACAFFAR1

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-2310372-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF Sanofi-Aventis (FR) 2011-04-20 EP disclosed
WO-2010003624-A2 HETEROCYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 WO disclosed