SCHEMBL9979616

SCHEMBL9979616

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.38
FFAR1 O14842 4/20 0.38
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
MCHR1 Q99705 5/20 0.32
ALOX5 P09917 1/20 0.32
LIPE Q05469 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL9979613 0.92 CYP11B1 (0.33) FFAR4FFAR1CHRM2CHRM4CHRM5
SCHEMBL9979517 0.91 FFAR4 (0.43) FFAR4FFAR1SIGMAR1
SCHEMBL9979585 0.91 CHRM2 (0.34) FFAR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL9979620 0.82 ITGB3 (0.35) FFAR4FFAR1
SCHEMBL9979702 0.82 ALDH1A1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9979619 0.82 ITGB3 (0.35) FFAR4FFAR1
SCHEMBL9979707 0.77 PPARD (0.48)
SCHEMBL9979513 0.77 PPARD (0.48)
SCHEMBL9979694 0.77 PPARA (0.41) LIPE
SCHEMBL9979507 0.76 PPARD (0.47) FFAR1

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