SCHEMBL13618775

SCHEMBL13618775

C/C=C(\C)CC#Cc1ccco1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL6240281 0.74 ALOX5 (0.48) ALOX5ALDH1A1
SCHEMBL9906388 0.74
SCHEMBL16345143 0.74
SCHEMBL6643512 0.71 ALOX5 (0.37) ALOX5ALDH1A1
SCHEMBL13626441 0.71 ALOX5 (0.37) ALOX5ALDH1A1
SCHEMBL7571198 0.70
SCHEMBL16345466 0.70
SCHEMBL1799185 0.70 ALOX5 (0.43) ALOX5ALDH1A1
SCHEMBL9906039 0.69 ALOX5 (0.43) ALOX5ALDH1A1
SCHEMBL5886575 0.68 ADORA3 (0.43) ALOX5

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-2009137413-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC. (US) 2009-11-12 WO disclosed