SCHEMBL2823409

SCHEMBL2823409

OCc1ccc(C#Cc2cc(Sc3ccc(O)c4c3CCC4)cc(C#Cc3ccc(CO)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
EGLN1 Q9GZT9 2/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
ACACB O00763 2/20 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
SCHEMBL2823406 0.88 PPARD (0.43) PPARDEGLN1EGLN3ACACB
SCHEMBL2068042 0.79 PPARD (0.53) PPARD
SCHEMBL2827433 0.77 PPARG (0.38) PPARDEGLN1EGLN3ACACB
SCHEMBL2822346 0.73 PPARD (0.41) PPARD
SCHEMBL2827431 0.70 PPARG (0.40) PPARDEGLN1EGLN3ACACB
SCHEMBL2069047 0.63 PPARD (0.59) PPARD
SCHEMBL2822197 0.62 GRM5 (0.43) PPARD
SCHEMBL16624600 0.61 TSHR (0.48) EGLN1
SCHEMBL5176957 0.61 ACACB (0.40) ACACB
SCHEMBL1692261 0.59 APP (0.54) EGLN1

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