SCHEMBL9979617

SCHEMBL9979617

O=C(O)Cc1coc2cc(/C=C/c3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.46
PPARA Q07869 4/20 0.46
PPARG P37231 1/20 0.46
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
TP53 P04637 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTGER4 P35408 2/20 0.35
UGCG Q16739 1/20 0.33
CBLB Q13191 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
SCHEMBL9979624 0.90 PPARD (0.38) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9979660 0.90 PPARD (0.41) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9979623 0.82 PPARD (0.67) PPARDPPARAPPARGPTGER4
SCHEMBL9979703 0.81 L3MBTL1 (0.36) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9979622 0.81 PPARD (0.57) PPARDPPARAPPARGPTGER4UGCG
SCHEMBL9979668 0.81 POLB (0.43) MAPTSMN1; SMN2ALOX15TP53
SCHEMBL9979674 0.76 PPARD (0.47) PPARDPPARAPPARGNR1H3UGCG
SCHEMBL9979510 0.74 PPARD (0.53) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9979633 0.74 PPARD (0.55) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9979700 0.73 PPARD (0.46) PPARDPPARAPPARGMAPTSMN1; SMN2

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