SCHEMBL9979516

SCHEMBL9979516

CCOC(=O)CC1COc2cc(OCc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.46
PPARD Q03181 6/20 0.46
PPARG P37231 6/20 0.46

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
SCHEMBL9979527 0.93 FFAR1 (0.42) FFAR1PPARDPPARG
SCHEMBL9979530 0.93 FFAR1 (0.46) FFAR1PPARDPPARG
SCHEMBL9979628 0.93 FFAR1 (0.46) FFAR1PPARDPPARG
SCHEMBL9979525 0.92 FFAR1 (0.47) FFAR1PPARDPPARG
SCHEMBL9979661 0.90 FFAR1 (0.52) FFAR1PPARDPPARG
SCHEMBL9979523 0.90 FFAR1 (0.52) FFAR1PPARDPPARG
SCHEMBL9979621 0.90 FFAR1 (0.52) FFAR1PPARDPPARG
SCHEMBL9979638 0.86 PPARD (0.47) FFAR1PPARDPPARG
SCHEMBL9979485 0.86 PPARD (0.47) FFAR1PPARDPPARG
SCHEMBL9979589 0.85 CYP11B1 (0.44) FFAR1PPARDPPARG

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