SCHEMBL5177615

SCHEMBL5177615

CCC/C=C1\[CH]CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.37

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
SCHEMBL5177346 0.89 CCR6 (0.39)
SCHEMBL5179480 0.87 NFKB1 (0.39)
SCHEMBL29936404 0.81 TRPA1 (0.49) TRPA1
SCHEMBL5178656 0.74 POLB (0.33)
SCHEMBL5177786 0.74 POLB (0.33)
SCHEMBL28294019 0.73
SCHEMBL6325231 0.64 KDM4E (0.41) TRPA1
SCHEMBL6325227 0.64 KDM4E (0.41) TRPA1
SCHEMBL6902803 0.63 ALDH1A1 (0.38) TRPA1
SCHEMBL1043282 0.63 ALDH1A1 (0.38) TRPA1

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
EP-1791804-A1 2-ALKYLIDENE- AND 2-(ALKYL-1-ENE)-CYCLOPENTANONE AS PERFUMES Symrise GmbH & Co. KG (DE) 2007-06-06 EP disclosed
WO-2006030010-A1 2-ALKYLIDENE- AND 2-(ALKYL-1-ENE)-CYCLOPENTANONE AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2006-03-23 WO disclosed