SCHEMBL9979629

SCHEMBL9979629

O=C1c2cccc(CSc3ccc(O)c4c3CCC4)c2CN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.41
PPARA Q07869 4/20 0.41
UGCG Q16739 4/20 0.37
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
GRM1 Q13255 1/20 0.34
CHRNB2 P17787 1/20 0.33
HTR1B P28222 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA4 P43681 1/20 0.33
CBLB Q13191 4/20 0.33
GRM2 Q14416 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
PPARG P37231 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
SCHEMBL9979518 0.87 UGCG (0.38) UGCGGRM1CHRNB2HTR1BSLC6A4
SCHEMBL9979580 0.85 PKM (0.41) UGCGGRM1
SCHEMBL9979506 0.83 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL9979709 0.81 PPARD (0.50) PPARDPPARAUGCGPPARG
SCHEMBL9979608 0.80 PPARD (0.50) PPARDPPARAUGCGPPARG
SCHEMBL9979551 0.78 UGCG (0.45) UGCGCHRNB2HTR1BSLC6A4CHRNA4
SCHEMBL9979557 0.77 UGCG (0.45) UGCGFPR1FPR2CHRNB2HTR1B
SCHEMBL9979554 0.75 UGCG (0.43) UGCGCBLB
SCHEMBL9979706 0.74 PPARD (0.60) PPARDPPARAPPARG
SCHEMBL9979632 0.73 PPARD (0.60) PPARDPPARAPPARG

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