SCHEMBL9979517

SCHEMBL9979517

O=C(O)CC1CCc2cc(SCc3cccc4c3CN(c3ccc(OC(F)(F)F)cc3)C4=O)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 13/20 0.43
FFAR1 O14842 5/20 0.43
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL9979616 0.91 FFAR4 (0.38) FFAR4FFAR1SIGMAR1
SCHEMBL9979619 0.91 ITGB3 (0.35) FFAR4FFAR1ITGB3ITGA2BPPARD
SCHEMBL9979620 0.88 ITGB3 (0.35) FFAR4FFAR1ITGB3ITGA2B
SCHEMBL9979613 0.82 CYP11B1 (0.33) FFAR4FFAR1PPARA
SCHEMBL9979585 0.81 CHRM2 (0.34) FFAR4
SCHEMBL9979706 0.75 PPARD (0.60) PPARDPPARA
SCHEMBL9979632 0.75 PPARD (0.60) PPARDPPARA
SCHEMBL9979693 0.75 PPARD (0.51) PPARDPPARA
SCHEMBL9979688 0.74 PPARD (0.59) FFAR1PPARDPPARA
SCHEMBL9979463 0.74 PPARD (0.59) FFAR1PPARDPPARA

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