SCHEMBL11316320

SCHEMBL11316320

COc1cccc2c(=O)c(CC(=O)O)c(C(=O)O)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
EDNRA P25101 1/20 0.43

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
SCHEMBL11318082 0.84 MAOA (0.49) MAOAKDM4EALDH1A1MEN1KMT2A
SCHEMBL11324537 0.81 LTB4R (0.46) GLASTING1BCL2BCL2L1MCL1
SCHEMBL11323693 0.81 EDNRA (0.60) MAOAKDM4EALDH1A1NPC1RAB9A
SCHEMBL19744148 0.80 MAOA (0.54) MAOAKDM4EALDH1A1NPC1RAB9A
SCHEMBL11320518 0.80 TTR (0.52) MEN1KMT2AGLASTING1MCL1
SCHEMBL11319581 0.80 MAOA (0.48) MAOAKDM4EALDH1A1NPC1RAB9A
SCHEMBL7956762 0.79 MEN1 (0.46) MAOAKDM4EALDH1A1NPC1RAB9A
SCHEMBL10372246 0.76 EDNRA (0.50) MAOAKDM4EALDH1A1NPC1RAB9A
SCHEMBL11746504 0.76 MCL1 (0.67) MAOAKDM4EALDH1A1NPC1RAB9A
SCHEMBL6242920 0.76 EDNRA (0.50) MAOAKDM4EALDH1A1NPC1RAB9A

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