SCHEMBL10736656

SCHEMBL10736656

CCCCCC(O)C1Cc2ccccc2OC1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
PNKP Q96T60 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL10731961 0.91 PPARG (0.39) PPARGCCNE1CDK2
SCHEMBL10737994 0.85 PPARG (0.35) PPARGPRKCGPRKCBPRKCAPRKCH
SCHEMBL28236280 0.81 PPARG (0.36) PPARGPRKCGPRKCBPRKCAPRKCH
SCHEMBL10731938 0.77 PPARG (0.37) PPARGCCNE1CDK2
SCHEMBL10346358 0.76 ALDH1A1 (0.44)
SCHEMBL29629330 0.74 PPARG (0.40) PPARG
SCHEMBL28596564 0.74 PPARG (0.40) PPARG
SCHEMBL28596563 0.74 PPARG (0.40) PPARG
SCHEMBL28230084 0.74 PPARG (0.38) PPARGPRKCD
SCHEMBL3113825 0.73 GRM2 (0.39) PPARGPRKCGPRKCBPRKCAPRKCH

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
US-4650812-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1987-03-17 US disclosed