SCHEMBL11316992

SCHEMBL11316992

COC(=O)Cc1c(C(=O)OC)oc2c(OC)c(OC)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.42
THRB P10828 1/20 0.42
STAT3 P40763 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL11319581 0.84 MAOA (0.48) MAOAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11318082 0.81 MAOA (0.49) MAOAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11313590 0.77 NQO1 (0.45) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11316539 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDKMT2ASTAT3
SCHEMBL11324543 0.75 KDM4E (0.59) MAOAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11316792 0.74 KDM4E (0.57) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL11312748 0.73 EDNRA (0.48) MAOAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11321943 0.73 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11323531 0.72 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11311429 0.72 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10MEN1

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