SCHEMBL3276878

SCHEMBL3276878

C=CC(C)(CCCCC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
CES2 O00748 1/20 0.37
ACLY P53396 1/20 0.37
AKR1B1 P15121 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
GPR84 Q9NQS5 6/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35

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
SCHEMBL4633633 0.98 HSD17B10 (0.41) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL3271498 0.98 HSD17B10 (0.41) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL17255672 0.94 HSD17B10 (0.36) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL4633631 0.88 GMNN (0.33) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL20678496 0.85 ALDH1A1 (0.32) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL15443241 0.82 HSD17B10 (0.38) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL11800484 0.81 HSD17B10 (0.40) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL11807392 0.81 HSD17B10 (0.40) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL15442773 0.81 HSD17B10 (0.40) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL11800506 0.81 HSD17B10 (0.40) HSD17B10GMNNUSP2CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1920042-B1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL AG & CO KGAA (DE) 2010-06-23 EP disclosed
EP-2046929-A1 LIQUID SUPPORT Henkel AG & Co. KGaA (DE) 2009-04-15 EP disclosed
EP-2038391-A1 WASHING, CLEANING AND CARE PRODUCTS Henkel AG & Co. KGaA (DE) 2009-03-25 EP disclosed
WO-2008116509-A1 CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2008-10-02 WO disclosed
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
EP-1920042-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-14 EP disclosed
WO-2008012140-A1 LIQUID SUPPORT HENKEL AG & CO. KGAA (DE) 2008-01-31 WO disclosed
WO-2008003631-A1 WASHING, CLEANING AND CARE PRODUCTS HENKEL AG & CO. KGAA (DE) 2008-01-10 WO disclosed
WO-2007118747-A1 AQUEOUS CLEANING AGENT CONTAINING PERFUME HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007028480-A1 PARTICLES CONTAINING ZEOLITE AND PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028478-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
EP-0982303-B1 2,4,6-Trimethyl-4-phenyl-1,3-dioxane DRAGOCO GERBERDING CO AG (DE) 2002-02-13 EP disclosed