SCHEMBL9979567

SCHEMBL9979567

CCOC(=O)CC1CCc2cc(OCCCOc3cccc4c3CN(c3ccc(C)cc3)C4=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.53
PPARA Q07869 5/20 0.51

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
SCHEMBL9979499 0.98 PPARD (0.49) PPARDPPARA
SCHEMBL9979475 0.92 PPARD (0.53) PPARDPPARA
SCHEMBL9979487 0.92 PPARD (0.53) PPARDPPARA
SCHEMBL9979604 0.91 PPARD (0.62) PPARDPPARA
SCHEMBL9979593 0.90 PPARD (0.50) PPARDPPARA
SCHEMBL9979476 0.90 PPARD (0.50) PPARDPPARA
SCHEMBL9979566 0.89 PPARD (0.58) PPARDPPARA
SCHEMBL9979572 0.88 PPARD (0.43) PPARDPPARA
SCHEMBL9979690 0.88 PPARD (0.43) PPARDPPARA
SCHEMBL9979519 0.83 FFAR1 (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