SCHEMBL873536

SCHEMBL873536

CCC(C)(CCc1ccccc1)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
RIPK1 Q13546 3/20 0.41
PTGS2 P35354 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
KEAP1 Q14145 1/20 0.39
SSTR4 P31391 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL29023299 0.85 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19CYP2D6RIPK1
SCHEMBL16672632 0.84 CYP2D6 (0.62) ALDH1A1CYP1A2CYP2C19CYP2D6NPC1
SCHEMBL7195667 0.83 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19CYP2D6RIPK1
SCHEMBL873380 0.81 ALDH1A1 (0.48) ALDH1A1PTGS2NPC1RAB9APOLB
SCHEMBL16672586 0.80 KMT2A (0.46) ALDH1A1CYP1A2CYP2C19CYP2D6NPC1
SCHEMBL16673620 0.79 CYP1A2 (0.43) ALDH1A1CYP1A2CYP2C19CYP2D6RIPK1
Benzene SCHEMBL11799767 0.78 CYP2C19 (0.43) ALDH1A1CYP1A2CYP2C19CYP2D6RIPK1
SCHEMBL4784772 0.78 L3MBTL1 (0.56) CYP1A2CYP2C19CYP2D6POLBL3MBTL1
SCHEMBL16672633 0.78 KMT2A (0.50) ALDH1A1CYP1A2CYP2C19CYP2D6POLB
SCHEMBL16672931 0.77 CHRNB2 (0.41) CYP1A2CYP2C19CYP2D6POLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
US-9959392-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-05-01 US disclosed
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP disclosed
US-20140271522-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-09-18 US disclosed
US-20140221269-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-08-07 US disclosed
US-8778320-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-15 US disclosed
EP-1561476-B1 DEODORANT COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2014-02-12 EP disclosed
EP-2618856-A1 DEODORANT COMPOSITION FOR SULFIDES Takasago International Corporation (JP) 2013-07-31 EP disclosed
US-20130136713-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-30 US disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US disclosed
US-20090087401-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-02 US disclosed
EP-2020225-A2 Fragrance composition Kao Corporation (JP) 2009-02-04 EP disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
US-20050245407-A1 Fragrance composition KAO CORPORATION (JP) 2005-11-03 US disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed
EP-1552814-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2005-07-13 EP disclosed