SCHEMBL21755792

SCHEMBL21755792

C#CCOc1ccc(-c2ccc(OCC#C)c(C(c3cc(-c4ccc(OCC#C)cc4)ccc3OCC#C)c3cc(I)cc(I)c3OCC=C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.35
GSTP1 P09211 1/20 0.34
MAOA P21397 9/20 0.34
ACHE P22303 1/20 0.33
MGAM O43451 2/20 0.31
GAA P10253 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31

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
SCHEMBL23960153 0.93 MAOB (0.37) MAOBGSTP1MAOAACHEMGAM
SCHEMBL23587192 0.91 MAOB (0.31) MAOB
SCHEMBL21755802 0.89 MGAM (0.36) MAOBMAOAMGAMGAASI
SCHEMBL23587434 0.89 MAOB (0.31) MAOBMAOAMGAMGAASI
SCHEMBL23960140 0.89 MAOB (0.31) MAOBMAOAMGAMGAASI
SCHEMBL21755786 0.74 CYP3A4 (0.35) MGAMGAASIMGAM2
SCHEMBL21755807 0.73 APP (0.35) GSTP1
SCHEMBL23085018 0.70 MAOB (0.39) MAOBMAOA
SCHEMBL21755789 0.70
SCHEMBL23587456 0.70 GAA (0.38) MAOBMAOAMGAMGAASI

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
WO-2020040162-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO disclosed