SCHEMBL6570244

SCHEMBL6570244

CCCCCC1(C)CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
CYP19A1 P11511 14/20 0.34
HSD17B3 P37058 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CETP P11597 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
SCHEMBL573648 0.94 SIRT2 (0.40) SIRT2CYP19A1CETP
SCHEMBL13017847 0.94 SIRT2 (0.38) SIRT2CYP19A1HSD17B3HSD17B10CETP
Acetic Acid SCHEMBL30206922 0.92 SIRT2 (0.42) SIRT2CYP19A1HSD17B3CETP
SCHEMBL18707309 0.86 SIRT2 (0.33) SIRT2CYP19A1
SCHEMBL13017843 0.81 SIRT2 (0.34) SIRT2
SCHEMBL15043702 0.80 GRIN1 (0.36) CETP
SCHEMBL15043641 0.80 GRIN1 (0.36) CETP
SCHEMBL3539164 0.80 GRIN1 (0.36) CETP
SCHEMBL8622095 0.78 SIRT2 (0.45) SIRT2CYP19A1
SCHEMBL112554 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197508-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP claimed
EP-3197511-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2017-08-02 EP claimed
WO-2016049396-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049455-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
CN-106946705-B Method for synthesizing (1R,2S) -methyl dihydrojasmonate 北京安胜瑞力科技有限公司 2022-02-15 CN disclosed
EP-1406674-A1 CAPSULES QUEST INTERNATIONAL B.V. (NL) 2004-04-14 EP disclosed
WO-2003002160-A1 CAPSULES QUEST INTERNATIONAL B.V. (NL) 2003-01-09 WO disclosed