SCHEMBL9979607

SCHEMBL9979607

COC(=O)CC1CSc2cc(OCc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.39
UGCG Q16739 6/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 3/20 0.36
S1PR1 P21453 2/20 0.34
PRKD3 O94806 1/20 0.34
CDK7 P50613 1/20 0.34
JAK3 P52333 1/20 0.34
TNK2 Q07912 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CHRNB2 P17787 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA4 P43681 1/20 0.34
PPARG P37231 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
FOXM1 Q08050 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
SCHEMBL9979505 0.93 FFAR1 (0.39) FFAR1UGCGMRGPRX4PPARDPPARA
SCHEMBL9979533 0.92 FFAR1 (0.44) FFAR1UGCGMRGPRX4PPARDPPARA
SCHEMBL9979578 0.91 FFAR1 (0.43) FFAR1UGCGTDP1
SCHEMBL9979530 0.85 FFAR1 (0.46) FFAR1PPARDPPARG
SCHEMBL9979628 0.85 FFAR1 (0.46) FFAR1PPARDPPARG
SCHEMBL9979503 0.84 FFAR1 (0.44) FFAR1UGCGMRGPRX4PPARDPPARA
SCHEMBL9979534 0.83 FFAR1 (0.49) FFAR1UGCGPPARDPPARAPPARG
SCHEMBL9979692 0.80 PPARD (0.56) UGCGMRGPRX4PPARDPPARACHRNB2
SCHEMBL9979485 0.79 PPARD (0.47) FFAR1UGCGMRGPRX4PPARDPPARA
SCHEMBL9979638 0.79 PPARD (0.47) FFAR1UGCGMRGPRX4PPARDPPARA

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