SCHEMBL2639495

SCHEMBL2639495

CC(=O)c1ccccc1C(=O)OCC=C(C)CCC=C(C)C

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.61
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL2639492 1.00 TRPV1 (0.61) TRPV1ALDH1A1ALOX15
SCHEMBL4957845 0.96 TRPV1 (0.66) TRPV1ALDH1A1ALOX15
SCHEMBL4957847 0.90 TRPV1 (0.61) TRPV1ALDH1A1ALOX15
SCHEMBL4957856 0.90 TRPV1 (0.61) TRPV1ALDH1A1ALOX15
SCHEMBL8619719 0.89 TRPV1 (0.60) TRPV1ALDH1A1ALOX15
SCHEMBL8619715 0.89 TRPV1 (0.60) TRPV1ALDH1A1ALOX15
SCHEMBL10429518 0.88 TRPV1 (0.57) TRPV1ALDH1A1ALOX15
SCHEMBL3504981 0.88 TRPV1 (0.60) TRPV1ALDH1A1ALOX15
SCHEMBL3504976 0.88 TRPV1 (0.60) TRPV1ALDH1A1ALOX15
SCHEMBL30629790 0.88 TRPV1 (0.60) TRPV1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4791634-B2 2011-10-12 JP claimed
EP-1169292-B1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS FIRMENICH & CIE (CH) 2004-11-24 EP claimed
US-6589921-B2 Such as 3,7-dimethyl-6-octenyl-2-formylbenzoate for after-shave lotion, cosmetics, soaps, shampoo/conditioners, other hair care products, bath/shower gels, foam baths, deodorants, air fresheners, detergents, or fabric softener FIRMENICH SA (CH) 2003-07-08 US claimed
US-20020169087-A1 Cyclic compounds and their use as precursors of fragrant alcohols FIRMENICH S.A 2002-11-14 US claimed
US-20020032132-A1 Cyclic compounds and their use as precursors of fragrant alcohols ANTARES CAPITAL CORPORATION, AS AGENT 2002-03-14 US claimed
EP-1169292-A1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS Firmenich S.A. (CH) 2002-01-09 EP claimed
WO-2000058260-A1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS FIRMENICH S.A. (CH) 2000-10-05 WO claimed
US-6939835-B2 Cyclic compounds and their use as precursors of fragrant alcohols FIRMENICH SA (CH) 2005-09-06 US disclosed
EP-1169292-B1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS FIRMENICH & CIE (CH) 2004-11-24 EP disclosed
US-20030148901-A1 Cyclic compounds and their use as precursors of fragrant alcohols FIRMENICH SA (CH) 2003-08-07 US disclosed
US-6589921-B2 Such as 3,7-dimethyl-6-octenyl-2-formylbenzoate for after-shave lotion, cosmetics, soaps, shampoo/conditioners, other hair care products, bath/shower gels, foam baths, deodorants, air fresheners, detergents, or fabric softener FIRMENICH SA (CH) 2003-07-08 US disclosed
US-20020169087-A1 Cyclic compounds and their use as precursors of fragrant alcohols FIRMENICH S.A 2002-11-14 US disclosed
US-20020032132-A1 Cyclic compounds and their use as precursors of fragrant alcohols ANTARES CAPITAL CORPORATION, AS AGENT 2002-03-14 US disclosed
EP-1169292-A1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS Firmenich S.A. (CH) 2002-01-09 EP disclosed
WO-2000058260-A1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS FIRMENICH S.A. (CH) 2000-10-05 WO disclosed