SCHEMBL18138463

SCHEMBL18138463

COc1ccc(C(=N[O])c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.58
CES1 P23141 2/20 0.58
CA1 P00915 7/20 0.56
CA2 P00918 7/20 0.56
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PARP1 P09874 1/20 0.54
PARP10 Q53GL7 1/20 0.54
PARP2 Q9UGN5 1/20 0.54
PARP4 Q9UKK3 1/20 0.54
PLK1 P53350 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAPT P10636 2/20 0.48
GSK3B P49841 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL244032 0.79 SMN1; SMN2 (0.68) CES2CES1CA1CA2ALDH1A1
SCHEMBL27944058 0.77 ALDH1A1 (0.59) CES2CES1CA1CA2ALDH1A1
SCHEMBL24105688 0.76 ESR2 (0.61) CES2CES1CA1CA2ALDH1A1
SCHEMBL30951898 0.74 ESR2 (0.59) CES2CES1CA1CA2ALDH1A1
SCHEMBL14278535 0.74 PKM (0.62) CES2CES1CA1CA2ALDH1A1
SCHEMBL14507040 0.73 CES2 (1.00) CES2CES1CA1CA2PARP1
SCHEMBL9418310 0.73 RXFP1 (0.79) CES2CES1CA1CA2ALDH1A1
SCHEMBL51509 0.73 RXFP1 (0.79) CES2CES1CA1CA2ALDH1A1
SCHEMBL557152 0.73 CES2 (1.00) CES2CES1CA1CA2PARP1
SCHEMBL8717053 0.73 CES2 (0.64) CES2CES1CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 EP disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 US disclosed
US-20160312089-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO., LTD. (JP) 2016-10-27 US disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 EP disclosed