SCHEMBL9430649

SCHEMBL9430649

COCCOc1ccc(OCc2ccccc2)c(C(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.58
▸ LRRK2 Q5S007 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 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
SCHEMBL3214018 0.91 MAOB (0.63) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL2785214 0.89 MAOB (0.71) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL9430588 0.89 SIRT2 (0.51) MAOBLRRK2
SCHEMBL8888358 0.87 LRRK2 (0.63) MAOBLRRK2MAPTCYP2C9CYP2C19
SCHEMBL7282913 0.84 MAOB (0.68) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL9431235 0.84 SIRT2 (0.54) MAOBLRRK2L3MBTL1
SCHEMBL27737196 0.81 MAOB (0.53) MAOBMAPTSMN1; SMN2L3MBTL1
SCHEMBL5528125 0.81 MAOB (0.60) MAOBLRRK2SMN1; SMN2
SCHEMBL30899826 0.81 MCL1 (0.51) MAOBMAPTSMN1; SMN2L3MBTL1
SCHEMBL3219499 0.81 MAOB (0.50) MAOBMAPTSMN1; SMN2L3MBTL1

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
US-5347050-A Cardioselective adrenoreceptor blocking agents; prophylaxis and therapy for coronary diseases, glaucoma, migraine BERTHOLD RICHARD (CH) 1994-09-13 — — US disclosed
EP-0052072-B1 3-AMINOPROPOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1985-02-20 — — EP disclosed
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