SCHEMBL2827433

SCHEMBL2827433

Cc1cc(Sc2cc(C#Cc3ccc(CO)cc3)nc(C#Cc3ccc(CO)cc3)c2)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
EGLN3 Q9H6Z9 1/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
FFAR1 O14842 3/20 0.35
GRM5 P41594 1/20 0.31
ACACB O00763 1/20 0.30
AR P10275 2/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2827431 0.88 PPARG (0.40) PPARGPPARDPPARAEGLN1EGLN3
SCHEMBL2822197 0.85 GRM5 (0.43) PPARGPPARDPPARAESR2FFAR1
SCHEMBL2069047 0.80 PPARD (0.59) PPARGPPARDPPARA
SCHEMBL2825493 0.79 HSP90AA1 (0.34) PPARGPPARDPPARAESR1ESR2
SCHEMBL2068571 0.78 PPARD (0.50) PPARGPPARDPPARAEGLN1FFAR1
SCHEMBL2823409 0.77 PPARD (0.42) PPARDEGLN1EGLN3ACACB
SCHEMBL12646902 0.73 PPARD (0.53) PPARGPPARDPPARA
SCHEMBL2822186 0.72 PPARD (0.43) PPARGPPARDPPARAEGLN1ESR1
SCHEMBL2822191 0.71 GRM5 (0.43) PPARGPPARDPPARAFFAR1GRM5
SCHEMBL5176957 0.71 ACACB (0.40) ACACB

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-1745003-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-27 EP claimed