SCHEMBL9541508

SCHEMBL9541508

CCC=CCCOC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP19A1 P11511 4/20 0.47
PPARG P37231 3/20 0.47
OXER1 Q8TDS5 3/20 0.47
MAPT P10636 3/20 0.47
RXRA P19793 2/20 0.47
FFAR1 O14842 2/20 0.47
PTGS1 P23219 4/20 0.44
F7 P08709 3/20 0.44
F3 P13726 3/20 0.44
PPARA Q07869 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
KMT2A Q03164 2/20 0.44
PPARD Q03181 2/20 0.44
NR1I2 O75469 2/20 0.43
PTGS2 P35354 2/20 0.43
PGR P06401 1/20 0.43
PDE4D Q08499 1/20 0.43
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41

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
SCHEMBL28427843 1.00 ALDH1A1 (0.47) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL6651850 0.88 ALDH1A1 (0.32) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL869634 0.87 ADORA3 (0.53) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL999551 0.87 ADORA3 (0.53) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL6945280 0.84 ADORA3 (0.44) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL14844478 0.84 ADORA3 (0.44) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL14844476 0.84 ADORA3 (0.44) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL6945278 0.84 ADORA3 (0.44) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL28231787 0.84 ADORA3 (0.44) ALDH1A1CYP19A1PPARGOXER1MAPT
(Z)-Hex-3-En-1-Yl Acetate SCHEMBL1871601 0.83 ALDH1A1 (0.45) ALDH1A1CYP19A1PPARGOXER1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118048210-A Detergent composition 广州立白企业集团有限公司 2024-05-17 CN disclosed
CN-111936608-B Musk-flavored composition 花王株式会社 2024-01-09 CN disclosed
CN-112135602-B Deodorant and passivating agent 株式会社资生堂 2023-08-01 CN disclosed
CN-112135602-A Deodorants and deactivators 株式会社资生堂 2020-12-25 CN disclosed
CN-111936608-A Musk composition 花王株式会社 2020-11-13 CN disclosed
CN-105120835-B Personal care compositions 宝洁公司 2020-07-24 CN disclosed
EP-2571090-B9 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
US-9553333-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-01-24 US disclosed
EP-2571090-B1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2016-09-07 EP disclosed
US-20150044554-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-12 US disclosed
US-20130216919-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-22 US disclosed
EP-2618418-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-07-24 EP disclosed
US-20130071731-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-03-21 US disclosed
US-20130071730-A1 NONAQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2013-03-21 US disclosed
EP-2571090-A1 NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed
EP-2571089-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2013-03-20 EP disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed