SCHEMBL3675154

SCHEMBL3675154

CCC(=O)C(C)C(=O)C(C)CC=C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL445648 0.84 GRIK1 (0.37) GRIK1GRIK2FNTAFNTB
SCHEMBL3668813 0.80 GRIK1 (0.35) GRIK1GRIK2FNTAFNTB
SCHEMBL7698557 0.78 ALDH1A1 (0.37) GRIK1GRIK2
SCHEMBL2439848 0.77 GRIK1 (0.38) GRIK1GRIK2FNTAFNTB
SCHEMBL13287299 0.77 GRIK1 (0.38) GRIK1GRIK2FNTAFNTB
SCHEMBL7702234 0.76 ALOX15 (0.35) GRIK1GRIK2
SCHEMBL26125123 0.74 TDP1 (0.30)
SCHEMBL28279631 0.73 TDP1 (0.37)
SCHEMBL17112013 0.72 GRIK1 (0.35) GRIK1GRIK2FNTAFNTB
SCHEMBL2440971 0.72 GRIK1 (0.41) GRIK1GRIK2FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301194-B1 ESSENTIAL OIL COMBINATION AND THERAPEUTIC USES THEREOF GIRAUD ANNE MARIE PIERRETTE (FR) 2010-03-31 EP claimed
CN-117243860-A Application of organic helichrysum/permanent flower essential oil in preparation of anti-aging active product 昆明理工大学 2023-12-19 CN disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
EP-3731852-A1 PARTICULAR EXTRACT FROM PERFUME PLANTS, AROMATIC PLANTS AND MEDICINAL PLANTS, METHOD FOR OBTAINING SAID EXTRACT, COMPOSITIONS CONTAINING SAME AND USES THEREOF Laboratoire Phenobio (FR) 2020-11-04 EP disclosed
EP-2184061-A1 Genariol as bacterial efflux pump inhibitor Universite de Corse (FR) 2010-05-12 EP disclosed