SCHEMBL5207891

SCHEMBL5207891

CC=CCCCc1ccc[c]c1OC

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL4073818 0.80 TAAR1 (0.35) TAAR1
SCHEMBL1012043 0.79 ALOX5 (0.42)
SCHEMBL3363963 0.77 TAAR1 (0.52) TAAR1
SCHEMBL6504160 0.75 HMGCR (0.35) TAAR1
SCHEMBL19244116 0.74 TAAR1 (0.58) TAAR1
SCHEMBL17514671 0.71 TAAR1 (0.30) TAAR1
SCHEMBL3365900 0.71 ABCB1 (0.47)
SCHEMBL455800 0.71 GABRA1 (0.37) TAAR1
SCHEMBL2441393 0.70 PDE4A (0.35)
SCHEMBL3367668 0.70 TAAR1 (0.37) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980867-B1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2007-08-08 EP disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed