SCHEMBL9979624

SCHEMBL9979624

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 2/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
UGCG Q16739 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9979668 0.92 POLB (0.43) MAPTTP53SMN1; SMN2POLBTSHR
SCHEMBL9979703 0.91 L3MBTL1 (0.36) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9979617 0.90 PPARD (0.46) PPARDPPARAPPARGMAPTTP53
SCHEMBL9979510 0.84 PPARD (0.53) PPARDPPARAPPARGMAPTTP53
SCHEMBL9979700 0.84 PPARD (0.46) PPARDPPARAPPARGMAPTTP53
SCHEMBL9979625 0.83 MAPT (0.47) MAPTTP53SMN1; SMN2POLBTSHR
SCHEMBL9979660 0.82 PPARD (0.41) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9979646 0.78 CYP11B1 (0.40) PPARDPPARAPPARGUGCGNR1H3
SCHEMBL9979618 0.77 PPARD (0.44) PPARDPPARAPPARGMAPTPOLB
SCHEMBL9979584 0.75 POLB (0.44) PPARDMAPTPOLBTSHRHSD17B10

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