SCHEMBL9979661

SCHEMBL9979661

O=C(O)C[C@H]1COc2cc(OCc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.52
PPARD Q03181 14/20 0.52
PPARG P37231 14/20 0.52
PPARA Q07869 1/20 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
SCHEMBL9979523 1.00 FFAR1 (0.52) FFAR1PPARDPPARGPPARA
SCHEMBL9979621 1.00 FFAR1 (0.52) FFAR1PPARDPPARGPPARA
SCHEMBL9979524 0.92 FFAR1 (0.49) FFAR1PPARDPPARGPPARA
SCHEMBL9979530 0.92 FFAR1 (0.46) FFAR1PPARDPPARG
SCHEMBL9979628 0.92 FFAR1 (0.46) FFAR1PPARDPPARG
SCHEMBL9979516 0.90 FFAR1 (0.46) FFAR1PPARDPPARG
SCHEMBL9979526 0.90 FFAR1 (0.58) FFAR1PPARDPPARG
SCHEMBL9979641 0.85 PPARD (0.59) FFAR1PPARDPPARGPPARA
SCHEMBL9979564 0.85 PPARD (0.59) FFAR1PPARDPPARGPPARA
SCHEMBL9979533 0.84 FFAR1 (0.44) FFAR1PPARDPPARGPPARA

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