SCHEMBL11318082

SCHEMBL11318082

COc1ccc2c(=O)c(CC(=O)O)c(C(=O)O)oc2c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MIF P14174 1/20 0.43
THRB P10828 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL11316320 0.84 MAOA (0.50) MAOAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11316992 0.81 MAOA (0.47) MAOAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11743904 0.77 ALDH1A1 (0.64) MAOAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11315080 0.75 NQO1 (0.47) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL11325086 0.73 KDM4E (0.61) MAOAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11749233 0.73 MAOA (0.49) MAOAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11324537 0.72 LTB4R (0.46)
SCHEMBL9157208 0.72 MEN1 (0.49) MAOAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11323693 0.72 EDNRA (0.60) MAOAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11320518 0.71 TTR (0.52) MEN1KMT2AL3MBTL1

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