SCHEMBL28690239

SCHEMBL28690239

C=CC(=O)OCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.61
▸ PLA2G4B P0C869 1/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA7 P43166 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CACNA1C Q13936 1/20 0.51
▸ MAOA P21397 1/20 0.50
▸ HTR2A P28223 1/20 0.49
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL8571160 0.92 IDO1 (0.53) MAOBMAPTALDH1A1HTR2ARAB9A
SCHEMBL13777552 0.83 MAPT (0.46) MAOBPLA2G4BMAPTHTR2A
SCHEMBL28621039 0.82 CA12 (0.76) MAOBPLA2G4BCA12CA1CA2
SCHEMBL2359708 0.81 THRB (0.58) MAOBCYP1A2
SCHEMBL26185836 0.81 MAOB (0.68) MAOBPLA2G4BCA12CA1CA2
SCHEMBL11274311 0.79 IDO1 (0.56) MAOBMAPTALDH1A1KMT2AHTR2A
SCHEMBL8948959 0.79 MAOB (0.70) MAOBPLA2G4BCA12CA1CA2
SCHEMBL9185772 0.78 IDO1 (0.54) MAOBMAPTALDH1A1HTR2ARAB9A
SCHEMBL6326722 0.78 CA12 (0.66) MAOBPLA2G4BCA12CA1CA2
SCHEMBL4759195 0.77 MAOB (0.68) MAOBPLA2G4BCA12CA1CA2

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
CN-113817164-B Hypoxic sensitive drug carrier polymer and preparation method and application thereof 北京化工大学 2022-11-29 — — CN claimed
CN-113817164-A Hypoxic sensitive drug carrier polymer and preparation method and application thereof 北京化工大学 2021-12-21 — — CN claimed
CN-113817164-B Hypoxic sensitive drug carrier polymer and preparation method and application thereof 北京化工大学 2022-11-29 — — CN disclosed
CN-113817164-A Hypoxic sensitive drug carrier polymer and preparation method and application thereof 北京化工大学 2021-12-21 — — CN disclosed
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