SCHEMBL4603182

SCHEMBL4603182

CCOCc1c[nH]c(=O)c(C(=O)OCC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
FAAH O00519 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL10404435 0.70 MEN1 (0.45) KDM4ENR1H2LMNASMN1; SMN2ALDH1A1
SCHEMBL23147058 0.69 ALDH1A1 (0.49) KDM4ENR1H2NR1H3LMNASMN1; SMN2
SCHEMBL23498573 0.68 SMN1; SMN2 (0.68) KDM4ENR1H2NR1H3LMNASMN1; SMN2
SCHEMBL15413118 0.68 KMT2A (0.54) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL26601966 0.66 LMNA (0.56) KDM4ELMNASMN1; SMN2KDM5AKDM5B
SCHEMBL16386608 0.66 ALDH1A1 (0.57) KDM4ENR1H2NR1H3LMNASMN1; SMN2
SCHEMBL3849702 0.66 PDE4D (0.64) KDM4ENR1H2NR1H3LMNAKDM5A
SCHEMBL1061985 0.66 KDM4E (0.72) KDM4ENR1H2NR1H3LMNASMN1; SMN2
SCHEMBL4751143 0.65 CA12 (0.56) KDM4ENR1H2NR1H3LMNASMN1; SMN2
SCHEMBL4273200 0.65 ATAD2 (0.44) KDM4EALDH1A1

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-1915365-A2 CARBOXAMIDE COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2008-04-30 EP disclosed
EP-1902047-A2 CARBOXAMIDE COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2008-03-26 EP disclosed
WO-2007007905-A2 CARBOXAMIDE COMPOUND AND USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-18 WO disclosed
WO-2007007903-A2 CARBOXAMIDE COMPOUND AND USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-18 WO disclosed