SCHEMBL9979619

SCHEMBL9979619

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
FFAR4 Q5NUL3 9/20 0.35
FFAR1 O14842 4/20 0.35
PPARD Q03181 5/20 0.33
PPARA Q07869 4/20 0.33
UGCG Q16739 1/20 0.32
PPARG P37231 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL9979517 0.91 FFAR4 (0.43) ITGB3ITGA2BFFAR4FFAR1PPARD
SCHEMBL9979620 0.90 ITGB3 (0.35) ITGB3ITGA2BFFAR4FFAR1UGCG
SCHEMBL9979613 0.90 CYP11B1 (0.33) FFAR4FFAR1PPARAUGCGPPARG
SCHEMBL9979616 0.82 FFAR4 (0.38) FFAR4FFAR1
SCHEMBL9979585 0.81 CHRM2 (0.34) FFAR4UGCG
SCHEMBL9979702 0.79 ALDH1A1 (0.35) UGCGRORC
SCHEMBL5639030 0.76 ITGB3 (0.46) ITGB3ITGA2BFFAR4FFAR1PPARD
SCHEMBL9979605 0.73 PPARD (0.47) FFAR1PPARDPPARAUGCGPPARG
SCHEMBL9979506 0.73 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL5639902 0.73 ITGB3 (0.54) ITGB3ITGA2BFFAR4FFAR1PPARD

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