SCHEMBL11040834

SCHEMBL11040834

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
KISS1R Q969F8 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
SCHEMBL11825452 0.71 BLM (0.40) GRIK1GRIK2
SCHEMBL11825442 0.71 BLM (0.40) GRIK1GRIK2
SCHEMBL16557022 0.71 PTPN1 (0.36) GRIK1GRIK2
SCHEMBL29766225 0.70 GABRP (0.46) GRIK1GRIK2
SCHEMBL28149457 0.70 GRIK1 (0.44) GRIK1GRIK2
SCHEMBL8960619 0.69
SCHEMBL8960622 0.69
SCHEMBL7514673 0.69
SCHEMBL16281541 0.69
SCHEMBL9915018 0.68 GRIK1 (0.39) GRIK1GRIK2

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-0038471-B1 BETA-GAMMA-UNSATURATED KETONES AND ISOPRENOIC DIENONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PERFUME COMPOUNDS AND FLAVOURINGS Consortium für elektrochemische Industrie GmbH (DE) 1984-11-14 EP disclosed
US-4385185-A β-γ-Unsaturated ketones and isoprenoid 2,6 diones, a process for producing the same and their use as fragrant and flavoring substances CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1983-05-24 US disclosed
EP-0038471-A1 Beta-gamma-unsaturated ketones and isoprenoic dienones, process for their preparation and their use as perfume compounds and flavourings Consortium für elektrochemische Industrie GmbH (DE) 1981-10-28 EP disclosed