SCHEMBL28423958

SCHEMBL28423958

Nc1ccc(C=CC=CCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.64
▸ CYP19A1 P11511 11/20 0.45
▸ MAOB P27338 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NQO2 P16083 2/20 0.38
▸ CYP1B1 Q16678 1/20 0.34

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
SCHEMBL5049020 0.85 APP (0.54) APPCYP19A1MAOBMAOAALDH1A1
SCHEMBL5049022 0.85 APP (0.54) APPCYP19A1MAOBMAOAALDH1A1
SCHEMBL4970063 0.82 APP (0.94) APPCYP19A1MAOBMAOAALDH1A1
SCHEMBL7620783 0.82 APP (0.94) APPCYP19A1MAOBMAOAALDH1A1
SCHEMBL4970060 0.82 APP (0.94) APPCYP19A1MAOBMAOAALDH1A1
SCHEMBL7620786 0.82 APP (0.94) APPCYP19A1MAOBMAOAALDH1A1
SCHEMBL9750087 0.79 APP (1.00) APPCYP19A1MAOBMAOANQO2
SCHEMBL8927237 0.79 APP (1.00) APPCYP19A1MAOBMAOANQO2
SCHEMBL9750082 0.79 APP (1.00) APPCYP19A1MAOBMAOANQO2
SCHEMBL9840167 0.79 APP (1.00) APPCYP19A1MAOBMAOANQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233701-B Benzobucket alkene pentapterene ligand, transition metal catalyst, preparation method and application in ethylene polymerization 中国科学院长春应用化学研究所 2021-03-23 — — CN disclosed
CN-111233701-A Novel benzo bucket alkene pentapterene ligand, transition metal catalyst, preparation method and application in ethylene polymerization 中国科学院长春应用化学研究所 2020-06-05 — — CN disclosed
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