SCHEMBL3668813

SCHEMBL3668813

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ALOX15 P16050 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
SCHEMBL2439848 0.89 GRIK1 (0.38) GRIK1GRIK2FNTAFNTBALOX15
SCHEMBL13287299 0.89 GRIK1 (0.38) GRIK1GRIK2FNTAFNTBALOX15
SCHEMBL3675154 0.80 GRIK1 (0.33) GRIK1GRIK2FNTAFNTB
SCHEMBL7702234 0.79 ALOX15 (0.35) GRIK1GRIK2ALOX15
SCHEMBL7698557 0.77 ALDH1A1 (0.37) GRIK1GRIK2ALOX15
SCHEMBL2440971 0.75 GRIK1 (0.41) GRIK1GRIK2FNTAFNTBALOX15
SCHEMBL10878954 0.75 GRIK1 (0.41) GRIK1GRIK2FNTAFNTBALOX15
SCHEMBL7702803 0.74 ALOX15 (0.36) GRIK1GRIK2FNTAFNTBALOX15
SCHEMBL132111 0.73 GRIK1 (0.48) GRIK1GRIK2FNTAFNTB
SCHEMBL8460820 0.71 TP53 (0.35)

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-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