SCHEMBL30833245

SCHEMBL30833245

Nc1cccc(Oc2cccc(O)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.67
ALDH1A1 P00352 6/20 0.64
CA12 O43570 2/20 0.64
CA2 P00918 2/20 0.64
CA9 Q16790 2/20 0.64
CA14 Q9ULX7 2/20 0.64
CA1 P00915 1/20 0.64
CA7 P43166 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP3A4 P08684 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
MITF O75030 1/20 0.52
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
KMT2A Q03164 1/20 0.52
NLRP1 Q9C000 1/20 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
SCHEMBL17508265 1.00 MAOB (0.67) MAOBALDH1A1CA12CA2CA9
Resorcinol SCHEMBL26103063 0.96 MAOB (0.67) MAOBALDH1A1CA12CA2CA9
SCHEMBL3947081 0.90 MAOB (0.53) MAOBALDH1A1CA12CA2CA9
SCHEMBL29414092 0.87 MAOB (0.86) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL55303 0.87 MAOB (0.86) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL813557 0.87 CYP3A4 (0.58) ALDH1A1CA12CA2CA9CA14
SCHEMBL30107929 0.87 MAOB (0.86) MAOBALDH1A1MAPTPOLBHSP90AA1
SCHEMBL30358272 0.87 CYP3A4 (0.58) ALDH1A1CA12CA2CA9CA14
SCHEMBL2428939 0.86 ALDH1A1 (0.73) MAOBALDH1A1CA12CA2CA9
SCHEMBL1362217 0.86 MAOB (0.70) MAOBALDH1A1CA12CA2CA9

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-117658779-A Method for recycling resorcinol and m-aminophenol 圣奥化学科技有限公司 2024-03-08 CN disclosed