SCHEMBL4489142

SCHEMBL4489142

CCCCCCCCCCCCCCCCCCc1cc(C(=O)C(=O)c2ccccc2)c(N)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL4493600 1.00 CES2 (0.47) CES2CES1KDM4EUSP2ALDH1A1
Bromide SCHEMBL11146660 0.99 CES2 (0.46) CES2CES1KDM4EUSP2ALDH1A1
Hydrochloric Acid SCHEMBL8642216 0.99 CES2 (0.46) CES2CES1KDM4EUSP2ALDH1A1
Hydrochloric Acid SCHEMBL6848392 0.99 CES2 (0.46) CES2CES1KDM4EUSP2ALDH1A1
SCHEMBL8770841 0.84 GABRP (0.48) KDM4EBIDMCL1BCL2L1BAK1
SCHEMBL27578934 0.83 CES2 (0.50) CES2CES1BIDMCL1BCL2L1
Ammonia Solution, Strong SCHEMBL22518255 0.82 CES2 (0.49) CES2CES1BIDMCL1BCL2L1
Ammonia Solution, Strong SCHEMBL5962258 0.82 CES2 (0.49) CES2CES1BIDMCL1BCL2L1
SCHEMBL27482239 0.81 MEN1 (0.44) KDM4EALDH1A1GLACYP3A4GAA
Hydrochloric Acid SCHEMBL3798855 0.81 BID (0.50) CES2CES1KDM4EMAPTHSD17B10

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
EP-2058366-A1 CASTING RESIN COMPOSITION, INSULATING MATERIAL USING THE SAME, AND INSULATING STRUCTURE Kabushiki Kaisha Toshiba (JP) 2009-05-13 EP disclosed