SCHEMBL3271689

SCHEMBL3271689

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
AKR1B1 P15121 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL42251 0.94 TSHR (0.34) AKR1B1ZDHHC20ZDHHC2GPR84PPARG
SCHEMBL4633631 0.90 GMNN (0.33) CES2ZDHHC20ZDHHC2HSD17B10
SCHEMBL10757979 0.89 CES2 (0.40) CES2ZDHHC20ZDHHC2GPR84PPARG
SCHEMBL20357684 0.89 CES2 (0.36) CES2AKR1B1ZDHHC20ZDHHC2GPR84
SCHEMBL5280547 0.83 CES2 (0.39) CES2ZDHHC20ZDHHC2TSHRMEN1
SCHEMBL15443383 0.83 CES2 (0.35) CES2AKR1B1GPR84PPARGPPARD
SCHEMBL16551761 0.82 GPR84 (0.57) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL15442775 0.81 CES2 (0.38) CES2GPR84PPARGPPARDPPARA
SCHEMBL15443269 0.81 CES2 (0.38) CES2GPR84PPARGPPARDPPARA
SCHEMBL2455289 0.81 ALDH1A1 (0.36) TSHRALDH1A1MEN1KMT2A

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 12 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-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
WO-2007028480-A1 PARTICLES CONTAINING ZEOLITE AND PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed