SCHEMBL309929

SCHEMBL309929

CCCC/C(C)=C(\C)C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.42
CES2 O00748 5/20 0.42
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.37
TSHR P16473 3/20 0.36
TRPA1 O75762 2/20 0.34
AKR1B1 P15121 1/20 0.33
DDAH1 O94760 1/20 0.33
GAPDH P04406 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
GPR84 Q9NQS5 2/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32

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
SCHEMBL309930 1.00 CES1 (0.42) CES1CES2ALDH1A1TP53CA1
SCHEMBL1782116 0.93 CES2 (0.44) CES1CES2ALDH1A1TSHRTRPA1
SCHEMBL1782114 0.93 CES2 (0.44) CES1CES2ALDH1A1TSHRTRPA1
SCHEMBL1784342 0.91 CES2 (0.46) CES1CES2ALDH1A1TSHRGPR84
SCHEMBL1784339 0.91 CES2 (0.46) CES1CES2ALDH1A1TSHRGPR84
SCHEMBL1785867 0.84
SCHEMBL1785866 0.84
SCHEMBL8400960 0.75 CES1 (0.37) CES1CES2ALDH1A1TP53CA1
SCHEMBL2533712 0.75 CES1 (0.37) CES1CES2ALDH1A1TP53CA1
SCHEMBL8400962 0.75 CES1 (0.37) CES1CES2ALDH1A1TP53CA1

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111050856-B Methods for identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2024-12-31 CN claimed
EP-3697370-B1 HAIR COLORING COMPOSITION COMPRISING MICROCAPSULES FIRMENICH & CIE (CH) 2024-06-12 EP disclosed
CN-111417373-B Hair dyeing composition comprising microcapsules 弗门尼舍有限公司 2024-04-12 CN disclosed
US-11484480-B2 Hair coloring composition comprising microcapsules FIRMENICH SA (CH) 2022-11-01 US disclosed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
US-20200368121-A1 HAIR COLORING COMPOSITION COMPRISING MICROCAPSULES FIRMENICH SA (CH) 2020-11-26 US disclosed
EP-3697370-A1 HAIR COLORING COMPOSITION COMPRISING MICROCAPSULES Firmenich SA (CH) 2020-08-26 EP disclosed
CN-111417373-A Hair dyeing composition comprising microcapsules 弗门尼舍有限公司 2020-07-14 CN disclosed
WO-2019145416-A1 HAIR COLORING COMPOSITION COMPRISING MICROCAPSULES FIRMENICH SA (CH) 2019-08-01 WO disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 EP disclosed
WO-2007090451-A1 FLUID RESERVOIR HENKEL AG & CO. KGAA (DE) 2007-08-16 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
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS 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
EP-1361921-A1 SHAPED COPPER AND CHROMIUM CONTAINING CATALYST FOR USE IN HYDROGENATION AND DEHYDROGENATION REACTIONS Degussa AG (DE) 2003-11-19 EP disclosed
WO-2002068119-A1 SHAPED COPPER AND CHROMIUM CONTAINING CATALYST FOR USE IN HYDROGENATION AND DEHYDROGENATION REACTIONS DEGUSSA AG (DE) 2002-09-06 WO disclosed
EP-0804402-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1997-11-05 EP disclosed
WO-1996022268-A1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXON CHEMICAL PATENTS INC. (US) 1996-07-25 WO disclosed
US-4270006-A CONCURRENT HYDROGENATION AND ALDOL CONDENSATION OF AN ALKYL ALDEHYDE OR KETONE USING A CATALYST SYSTEM COMPRISING A GROUP 8 METAL AND A RARE EARTH OXIDE OR SALT BASF AKTIENGESELLSCHAFT (DE) 1981-05-26 US disclosed