SCHEMBL2638602

SCHEMBL2638602

C=C(CCCCC)c1ccc(C(=O)O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.55
HTT P42858 1/20 0.50
KDM4E B2RXH2 2/20 0.48
KAT8 Q9H7Z6 2/20 0.44
HSD17B3 P37058 6/20 0.44
ALDH1A1 P00352 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RARB P10826 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL21839460 0.85 HTT (0.60) PPARAHTTKDM4EKAT8HSD17B3
SCHEMBL2996893 0.84 PPARA (0.60) PPARAHTTKDM4EKAT8HSD17B3
SCHEMBL8408078 0.78 TP53 (0.56) HSD17B3ALDH1A1TSHRRARB
SCHEMBL24072608 0.77 ACE2 (0.43) PPARAKDM4EHSD17B3ALDH1A1RARB
SCHEMBL28956386 0.77 PPARA (0.58) PPARAKAT8TSHRRARB
SCHEMBL26565876 0.74 CA12 (0.51) HTTKDM4EALDH1A1CA12CA1
SCHEMBL8846523 0.74 ALDH1A1 (0.53) PPARAKDM4EALDH1A1CA12CA1
SCHEMBL2787515 0.74 RARB (0.51) HSD17B3ALDH1A1TSHRRARB
SCHEMBL4263909 0.73 HSD17B3 (0.58) PPARAHTTKAT8HSD17B3ALDH1A1
SCHEMBL11595459 0.73 HSP90AB1 (0.55) PPARAHTTKDM4EALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771407-B1 4-HEPTEN-2-YL SALICYLATE AND ITS USE AS A FRAGRANCE INGREDIENT GIVAUDAN SA (CH) 2014-09-03 EP claimed
JP-4751884-B2 2011-08-17 JP claimed
US-20080261859-A1 4-Hepten-2-Yl Salicylate and Its Use as Fragrance Ingredient GIVAUDAN SA (CH) 2008-10-23 US claimed
EP-1771407-A1 4-HEPTEN-2-YL SALICYLATE AND ITS USE AS A FRAGRANCE INGREDIENT Givaudan SA (CH) 2007-04-11 EP claimed
WO-2006007755-A1 4-HEPTEN-2-YL SALICYLATE AND ITS USE AS FRAGRANCE INGREDIENT GIVAUDAN SA (CH) 2006-01-26 WO claimed
EP-1771407-B1 4-HEPTEN-2-YL SALICYLATE AND ITS USE AS A FRAGRANCE INGREDIENT GIVAUDAN SA (CH) 2014-09-03 EP disclosed
US-7842660-B2 4-hepten-2-yl salicylate and its use as fragrance ingredient GIVAUDAN SA (CH) 2010-11-30 US disclosed
US-7842660-B2 4-hepten-2-yl salicylate and its use as fragrance ingredient GIVAUDAN SA (CH) 2010-11-30 US disclosed
US-7842660-B2 4-hepten-2-yl salicylate and its use as fragrance ingredient GIVAUDAN SA (CH) 2010-11-30 US disclosed
US-20080261859-A1 4-Hepten-2-Yl Salicylate and Its Use as Fragrance Ingredient GIVAUDAN SA (CH) 2008-10-23 US disclosed
US-20080261859-A1 4-Hepten-2-Yl Salicylate and Its Use as Fragrance Ingredient GIVAUDAN SA (CH) 2008-10-23 US disclosed
US-20080261859-A1 4-Hepten-2-Yl Salicylate and Its Use as Fragrance Ingredient GIVAUDAN SA (CH) 2008-10-23 US disclosed
CN-1984870-A 4-hepten-2-yl salicylate and its use as fragrance ingredient GIVAUDAN SA (CH) 2007-06-20 CN disclosed
CN-1984870-A 4-hepten-2-yl salicylate and its use as fragrance ingredient GIVAUDAN SA (CH) 2007-06-20 CN disclosed
EP-1771407-A1 4-HEPTEN-2-YL SALICYLATE AND ITS USE AS A FRAGRANCE INGREDIENT Givaudan SA (CH) 2007-04-11 EP disclosed
EP-1771407-A1 4-HEPTEN-2-YL SALICYLATE AND ITS USE AS A FRAGRANCE INGREDIENT Givaudan SA (CH) 2007-04-11 EP disclosed
WO-2006007755-A1 4-HEPTEN-2-YL SALICYLATE AND ITS USE AS FRAGRANCE INGREDIENT GIVAUDAN SA (CH) 2006-01-26 WO disclosed
WO-2006007755-A1 4-HEPTEN-2-YL SALICYLATE AND ITS USE AS FRAGRANCE INGREDIENT GIVAUDAN SA (CH) 2006-01-26 WO disclosed