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Linalyl Acetate

Linalyl Acetate

SCHEMBL9709870

C=CC(C)(CCC=C(C)C)OC(C)=O.C=CC(C)(CCC=C(C)C)OC(C)=O.CC(=O)OC/C=C(/C)CCC=C(C)C.CC(=O)OC/C=C(\C)CCC=C(C)C

nearest known ligand 0.64

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ TRPV1 Q8NER1 3/20 0.43
▸ FNTA P49354 2/20 0.42
▸ FNTB P49356 2/20 0.42
▸ PGGT1B P53609 1/20 0.42
▸ GGPS1 O95749 1/20 0.41

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
Linalyl Acetate SCHEMBL28638899 1.00 ALOX15 (0.64) ALOX15ALDH1A1TRPV1FNTAFNTB
SCHEMBL9017160 0.91 ALOX15 (0.59) ALOX15ALDH1A1FNTAFNTBGGPS1
SCHEMBL2004080 0.91 ALOX15 (0.59) ALOX15ALDH1A1FNTAFNTBGGPS1
SCHEMBL15914304 0.91 ALOX15 (0.59) ALOX15ALDH1A1FNTAFNTBGGPS1
SCHEMBL3506100 0.91 ALOX15 (0.59) ALOX15ALDH1A1FNTAFNTBGGPS1
SCHEMBL2004079 0.91 ALOX15 (0.59) ALOX15ALDH1A1FNTAFNTBGGPS1
SCHEMBL9017126 0.91 ALOX15 (0.59) ALOX15ALDH1A1FNTAFNTBGGPS1
SCHEMBL22372389 0.91 ALOX15 (0.59) ALOX15ALDH1A1FNTAFNTBGGPS1
SCHEMBL22372388 0.91 ALOX15 (0.59) ALOX15ALDH1A1FNTAFNTBGGPS1
Linalyl Acetate SCHEMBL11793327 0.87 ALOX15 (0.51) ALOX15ALDH1A1FNTAFNTBGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175346-A Catalyst mixture of cuprous chloride and quaternary ammonium salt RHONE-POULENC SANTE (FR) 1992-12-29 — — US disclosed