SCHEMBL9897113

SCHEMBL9897113

CC(=O)O/N=C(/C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 0.50
CES1 P23141 8/20 0.50
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
ELANE P08246 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9897115 1.00 CES2 (0.50) CES2CES1GAACYP2C19ELANE
SCHEMBL12328537 1.00 CES2 (0.50) CES2CES1GAACYP2C19ELANE
SCHEMBL2045675 0.90 CYP2C19 (0.48) CES2CES1GAACYP2C19ELANE
SCHEMBL2045676 0.90 CYP2C19 (0.48) CES2CES1GAACYP2C19ELANE
SCHEMBL14278561 0.89 CES2 (0.63) CES2CES1ELANESMN1; SMN2MAPT
SCHEMBL14429956 0.88 AKR1C3 (0.41) CES2CES1GAACYP2C19ELANE
SCHEMBL20278560 0.88 HPGD (0.53) CES2CES1GAACYP2C19ELANE
SCHEMBL12629295 0.88 HPGD (0.53) CES2CES1GAACYP2C19ELANE
SCHEMBL11399000 0.87 CYP2C19 (0.46) CES2CES1GAACYP2C19ELANE
SCHEMBL15499959 0.85 HPGD (0.46) CES2CES1ELANESMN1; SMN2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US claimed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US claimed
EP-2649102-B1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORP (JP) 2014-11-26 EP disclosed
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US disclosed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US disclosed