SCHEMBL9979632

SCHEMBL9979632

O=C(O)COc1ccc(SCc2cccc3c2CN(c2ccc(OC(F)(F)F)cc2)C3=O)c2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.60
PPARA Q07869 15/20 0.60
PPARG P37231 8/20 0.49

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
SCHEMBL9979706 0.98 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL9979506 0.90 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL9979513 0.90 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL9979707 0.89 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL9979708 0.86 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL9979608 0.81 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL9979709 0.79 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL9979515 0.79 PPARD (0.39) PPARDPPARAPPARG
SCHEMBL9979712 0.77 ALDH1A1 (0.40) PPARDPPARAPPARG
SCHEMBL9979517 0.75 FFAR4 (0.43) PPARDPPARA

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
WO-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed