SCHEMBL11313409

SCHEMBL11313409

O=C(O)Cc1c(C(=O)O)oc2cc(Cl)ccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.57
TTR P02766 4/20 0.56
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KIF11 P52732 1/20 0.39
KCNH2 Q12809 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
SCHEMBL11324534 0.89 MCL1 (0.57) MCL1TTRMEN1KMT2AKDM4E
SCHEMBL11311546 0.83 MAPT (0.49) MCL1MEN1KMT2AKDM4ECA12
SCHEMBL11314882 0.81 ACP1 (0.46) TTRMEN1KMT2AKDM4ECA12
SCHEMBL11324807 0.81 MCL1 (0.39) MCL1MEN1KMT2AKDM4EMAPK1
SCHEMBL11325086 0.80 KDM4E (0.61) CA1CA2MEN1KMT2AKDM4E
SCHEMBL11323420 0.80 KMO (0.40) MCL1TTRKDM4ECA12CA9
SCHEMBL11179425 0.80 MCL1 (0.51) MCL1TTRCA1CA2MEN1
SCHEMBL6329907 0.78 MCL1 (0.80) MCL1TTRCA1CA2MEN1
SCHEMBL11323531 0.76 KDM4E (0.50) MCL1TTRCA1CA2KMT2A
SCHEMBL11321162 0.75 CSNK2A2 (0.50) MCL1TTRKDM4EHPGDHSD17B10

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
US-4307020-A REACTING AN 0-HYDROXYACETOPHENONE WITH A GLYOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed
US-4285965-A FUNGICIDES AND INSECTICIDES FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
EP-0000377-B1 PROCESS FOR THE PREPARATION OF CHROMONE DERIVATIVES, NEW CHROMONE DERIVATIVES AND THEIR USE AS PLANT-PROTECTING AGENTS BAYER AG (DE) 1981-01-21 EP disclosed
US-4189498-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed