SCHEMBL31250385

SCHEMBL31250385

CC(=O)Oc1c(O)c(OC(C)=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ ALOX15 P16050 3/20 0.56
▸ SLCO2B1 O94956 2/20 0.56
▸ CYP19A1 P11511 2/20 0.56
▸ APEX1 P27695 2/20 0.56
▸ DAPK1 P53355 2/20 0.56
▸ GLA P06280 1/20 0.56
▸ FBP1 P09467 1/20 0.56
▸ HSPD1 P10809 1/20 0.56
▸ RAD52 P43351 1/20 0.56
▸ HSPE1 P61604 1/20 0.56
▸ TST Q16762 1/20 0.56
▸ BCL9 O00512 6/20 0.52
▸ CTNNB1 P35222 6/20 0.52
▸ KDR P35968 2/20 0.52

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
SCHEMBL31591249 0.84 ALOX5 (0.66) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL30047574 0.84 ALOX5 (0.62) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL30434092 0.77 KDM4E (0.71) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL28482492 0.76 MEN1 (0.76) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL28486812 0.75 CDK1 (0.57) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL29687268 0.75 CDK1 (0.57) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL29732684 0.75 KDM4E (0.62) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL30494621 0.75 MEN1 (0.64) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL29962900 0.75 MEN1 (0.64) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4165238 0.74 APP (0.46) KDM4EMEN1MAPTKMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119000936-A Method for rapidly determining 63 mycotoxins in edible and medicinal materials and grains 成都市食品检验研究院 2024-11-22 — — CN disclosed
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