SCHEMBL8447577

SCHEMBL8447577

CCCc1ccc(/C=C/C2CCC(=O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 17/20 0.40
▸ MAOA P21397 6/20 0.37
▸ MGLL Q99685 1/20 0.36

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
SCHEMBL8447581 1.00 MAOB (0.40) MAOBMAOAMGLL
SCHEMBL27822012 0.79 ALDH1A1 (0.53) MAOB
SCHEMBL8077244 0.79 SPHK1 (0.44) —
SCHEMBL8077249 0.79 SPHK1 (0.44) —
SCHEMBL27440533 0.76 CYP2A6 (0.50) —
SCHEMBL9419274 0.73 ESR2 (0.55) —
SCHEMBL8448368 0.73 MAOB (0.51) MAOBMAOAMGLL
SCHEMBL9457910 0.71 MAOB (0.59) MAOBMAOA
SCHEMBL9457904 0.71 MAOB (0.59) MAOBMAOA
SCHEMBL8700034 0.70 ALDH1A1 (0.54) MAOB

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
US-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 — — US disclosed
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