SCHEMBL9979499

SCHEMBL9979499

CCOC(=O)CC1CCc2cc(OCCOc3cccc4c3CN(c3ccc(C)cc3)C4=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.49
PPARA Q07869 8/20 0.47
PPARG P37231 4/20 0.41

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
SCHEMBL9979567 0.98 PPARD (0.53) PPARDPPARA
SCHEMBL9979593 0.92 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL9979476 0.92 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL9979566 0.91 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL9979487 0.90 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL9979475 0.90 PPARD (0.53) PPARDPPARA
SCHEMBL9979604 0.89 PPARD (0.62) PPARDPPARA
SCHEMBL9979690 0.88 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL9979572 0.88 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL9979519 0.84 FFAR1 (0.43) PPARDPPARAPPARG

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