SCHEMBL9016509

SCHEMBL9016509

COc1cccc(/C=N/OCC#N)c1OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.52
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 5/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.41
HTT P42858 1/20 0.40
BCHE P06276 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL9016535 1.00 ACMSD (0.52) ACMSDKMT2AKDM4EHPGDALDH1A1
SCHEMBL9016495 0.80 POLB (0.53) ACMSDKMT2AKDM4EHPGDPOLB
SCHEMBL9016511 0.80 POLB (0.53) ACMSDKMT2AKDM4EHPGDPOLB
SCHEMBL2554736 0.76 PTGDR2 (0.62) ACMSDKMT2APOLBSMN1; SMN2CA2
SCHEMBL6744642 0.74 SMN1; SMN2 (0.70) ACMSDKMT2AKDM4EHPGDALDH1A1
SCHEMBL13665131 0.72 HPGD (0.63) ACMSDKMT2AHPGDALDH1A1POLB
SCHEMBL12515887 0.71 ALDH1A1 (0.55) ACMSDKMT2AKDM4EHPGDALDH1A1
SCHEMBL6743332 0.69 POLB (0.62) KMT2AKDM4EHPGDALDH1A1POLB
SCHEMBL31552456 0.68 SMN1; SMN2 (0.71) KMT2AKDM4EHPGDALDH1A1HSD17B10
SCHEMBL29952098 0.68 SRC (0.50) ACMSDKMT2AKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574153-A BACTERICIDES ACS DOBFAR S.P.A. (IT) 1996-11-12 US disclosed
EP-0638574-A1 Oxime derivatives of cephalosporanic structure and compounds for their preparation ACS DOBFAR S.p.A. (IT) 1995-02-15 EP disclosed