SCHEMBL11054595

SCHEMBL11054595

CCOC(=O)c1ccc2cccc(OC)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.58
CDC25B P30305 3/20 0.53
MAPT P10636 5/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HCRTR1 O43613 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
HPGD P15428 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
SCHEMBL11051219 0.82 CA12 (0.59) HSD17B2CDC25BMAPTRAB9AKDM4E
SCHEMBL15788487 0.81 CDC25B (0.52) HSD17B2CDC25BMAPTRAB9AKDM4E
SCHEMBL10391503 0.81 CDC25B (0.56) CDC25BMAPTRAB9AKDM4EMEN1
SCHEMBL11052006 0.81 ALDH1A1 (0.55) CDC25BMAPTRAB9AKDM4ENPC1
SCHEMBL30676976 0.80 ALDH1A1 (0.56) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL4404905 0.80 ALDH1A1 (0.56) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL2671487 0.80 KDM4E (0.62) CDC25BRAB9AKDM4ENPC1MEN1
SCHEMBL10484070 0.79 KMT2A (0.59) CDC25BMAPTRAB9AKDM4ENPC1
SCHEMBL5680100 0.79 HSD17B2 (0.65) HSD17B2MAPTRAB9AKDM4ENPC1
SCHEMBL19216873 0.79 CDC25B (0.50) HSD17B2CDC25BMAPTRAB9AKDM4E

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-4490370-A BACTERICIDES ELI LILLY AND COMPANY (US) 1984-12-25 US disclosed
EP-0122155-A2 Improvements in or relating to naphthylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP disclosed