SCHEMBL31408196

SCHEMBL31408196

Oc1ccc2c(c1)COc1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.59
RAB9A P51151 2/20 0.59
MAOB P27338 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KMT2A Q03164 2/20 0.44
MIF P14174 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NOTUM Q6P988 1/20 0.44
HTR2B P41595 3/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAOA P21397 2/20 0.41
MAPK14 Q16539 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
SCHEMBL28164391 1.00 ALDH1A1 (0.59) ALDH1A1MAPTRAB9AMAOBKDM4E
SCHEMBL31253972 0.87 ALDH1A1 (0.61) ALDH1A1MAPTRAB9AMAOBMIF
SCHEMBL11850245 0.87 ALDH1A1 (0.61) ALDH1A1MAPTRAB9AMAOBMIF
SCHEMBL30577530 0.87 MAOA (0.49) ALDH1A1MAPTRAB9AMAOBMIF
SCHEMBL802750 0.87 MAOA (0.49) ALDH1A1MAPTRAB9AMAOBMIF
SCHEMBL11404428 0.86 ALDH1A1 (0.69) ALDH1A1MAPTRAB9AMAOBKDM4E
SCHEMBL8136557 0.84 ALDH1A1 (0.76) ALDH1A1MAPTRAB9AMAOBKDM4E
SCHEMBL26774070 0.81 ALDH1A1 (0.54) ALDH1A1MAPTRAB9AMAOBKDM4E
SCHEMBL132696 0.80 MAOB (0.60) ALDH1A1MAPTRAB9AMAOBKDM4E
SCHEMBL29799860 0.80 MAOB (0.60) ALDH1A1MAPTRAB9AMAOBKDM4E

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-119504691-A 8-Hydroxy urolithin A derivative and preparation method and application thereof 常州大学 2025-02-25 CN disclosed