SCHEMBL7199877

SCHEMBL7199877

CCCCCCCC(=NOC(=O)c1ccccc1)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
PKM P14618 2/20 0.40
PPARA Q07869 2/20 0.39
TNF P01375 1/20 0.39
KLF5 Q13887 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL18289504 1.00 CES2 (0.44) CES2CES1MAPTL3MBTL1GAA
SCHEMBL9962627 0.90 MAPT (0.45) MAPTL3MBTL1GAAALDH1A1HPGD
SCHEMBL18289506 0.89 CES2 (0.43) CES2CES1MAPTL3MBTL1GAA
SCHEMBL9112717 0.89 ALDH1A1 (0.46) CES2CES1MAPTL3MBTL1GAA
SCHEMBL13541031 0.86 CES2 (0.42) CES2CES1MAPTL3MBTL1GAA
SCHEMBL103376 0.86 CES2 (0.48) CES2CES1MAPTALDH1A1HPGD
SCHEMBL12021972 0.86 CES2 (0.48) CES2CES1MAPTALDH1A1HPGD
SCHEMBL22729193 0.86 CES2 (0.48) CES2CES1MAPTALDH1A1HPGD
SCHEMBL3085331 0.86 CES2 (0.48) CES2CES1MAPTALDH1A1HPGD
SCHEMBL92006 0.86 CES2 (0.48) CES2CES1MAPTALDH1A1HPGD

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
US-6596445-B1 Initiators for photopolymerization of radically polymerizable compounds CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-22 US disclosed