SCHEMBL9979623

SCHEMBL9979623

O=C(O)Cc1coc2cc(OCc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.67
PPARA Q07869 10/20 0.62
PPARG P37231 4/20 0.62
FFAR1 O14842 1/20 0.45
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTGER4 P35408 1/20 0.38

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
SCHEMBL9979633 0.92 PPARD (0.55) PPARDPPARAPPARGFFAR1MAOB
SCHEMBL9979510 0.90 PPARD (0.53) PPARDPPARAPPARGFFAR1MAOA
SCHEMBL9979640 0.90 PPARD (0.51) PPARDPPARAPPARGFFAR1PTGER4
SCHEMBL9979669 0.90 PPARD (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL9979622 0.85 PPARD (0.57) PPARDPPARAPPARGFFAR1PTGER4
SCHEMBL9979535 0.84 PPARD (0.67) PPARDPPARAPPARGFFAR1PTGER4
SCHEMBL9979618 0.82 PPARD (0.44) PPARDPPARAPPARGFFAR1MAOA
SCHEMBL9979617 0.82 PPARD (0.46) PPARDPPARAPPARGPTGER4
SCHEMBL9979584 0.81 POLB (0.44) PPARDFFAR1MAOAMAOB
SCHEMBL9979520 0.80 PPARD (0.43) PPARDPPARAPPARGFFAR1MAOA

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