SCHEMBL9979633

SCHEMBL9979633

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.55
PPARA Q07869 6/20 0.51
PPARG P37231 1/20 0.51
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER4 P35408 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL9979623 0.92 PPARD (0.67) PPARDPPARAPPARGFFAR1PTGER4
SCHEMBL9979618 0.90 PPARD (0.44) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL9979640 0.90 PPARD (0.51) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL9979669 0.90 PPARD (0.53) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL9979660 0.84 PPARD (0.41) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL9979532 0.84 PPARD (0.55) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL9979510 0.82 PPARD (0.53) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL9979584 0.81 POLB (0.44) PPARDFFAR1MAPTMAOB
SCHEMBL9979520 0.80 PPARD (0.43) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL9979524 0.77 FFAR1 (0.49) PPARDPPARAPPARGFFAR1

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