SCHEMBL9979510

SCHEMBL9979510

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.53
PPARA Q07869 5/20 0.50
PPARG P37231 1/20 0.50
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
FFAR1 O14842 1/20 0.39
ALDH2 P05091 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37

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
SCHEMBL9979618 0.93 PPARD (0.44) PPARDPPARAPPARGPOLBMEN1
SCHEMBL9979584 0.92 POLB (0.44) PPARDPOLBMEN1KMT2AMAPT
SCHEMBL9979520 0.90 PPARD (0.43) PPARDPPARAPPARGPOLBMEN1
SCHEMBL9979623 0.90 PPARD (0.67) PPARDPPARAPPARGFFAR1MAOA
SCHEMBL9979700 0.86 PPARD (0.46) PPARDPPARAPPARGPOLBMEN1
SCHEMBL9979624 0.84 PPARD (0.38) PPARDPPARAPPARGPOLBMEN1
SCHEMBL9979640 0.83 PPARD (0.51) PPARDPPARAPPARGPOLBMEN1
SCHEMBL9979633 0.82 PPARD (0.55) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL9979669 0.80 PPARD (0.53) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL9979516 0.79 FFAR1 (0.46) PPARDPPARGFFAR1

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