SCHEMBL7130951

SCHEMBL7130951

CC(C)=CCCC(C)=CCOC(=O)OCCOCCOC(=O)OCC=C(C)CCC=C(C)C

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
ALOX15 P16050 1/20 0.65
TRPV1 Q8NER1 3/20 0.51
FNTA P49354 2/20 0.50
FNTB P49356 2/20 0.50
PGGT1B P53609 1/20 0.50

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
SCHEMBL7220410 0.90 ALDH1A1 (0.79) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL28538300 0.90 ALDH1A1 (0.79) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL788923 0.88 ALDH1A1 (0.76) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL6950549 0.84 ALDH1A1 (0.61) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL6950547 0.84 ALDH1A1 (0.61) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL3269985 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL4962981 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL12986607 0.82 ALDH1A1 (0.67) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL12986604 0.82 ALDH1A1 (0.67) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL7130948 0.82 ALDH1A1 (0.54) ALDH1A1ALOX15TRPV1FNTAFNTB

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-0816322-B1 Fragrance precursors GIVAUDAN SA (CH) 2003-03-26 EP claimed
US-6306818-B1 ESTER, THIOESTER, ORGANIC CARBONATE AND/OR THIOCARBONATE DERIVATIVES; COSMETICS, DETERGENTS, FABRIC SOFTENERS, ANTIPERSPIRANTS; SUSTAINED SCENT GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-10-23 US claimed
EP-0816322-A1 Fragrance precursors GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP disclosed