SCHEMBL3338091

SCHEMBL3338091

CCCCC(CC)CCCC=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.56
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 5/20 0.52
CA2 P00918 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.44
HIF1A Q16665 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
SCHEMBL8423881 0.93 TSHR (0.56) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL9265049 0.91 TSHR (0.60) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL29109640 0.91 TSHR (0.60) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL2958422 0.91 CYP3A4 (0.53) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL5373874 0.91 TSHR (0.50) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL29008641 0.89 CYP3A4 (0.52) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL3340866 0.88 TSHR (0.50) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL8538249 0.87 TSHR (0.67) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL9263907 0.87 TSHR (0.67) TSHRALDH1A1CYP3A4CA2L3MBTL1
SCHEMBL9265824 0.87 TSHR (0.67) TSHRALDH1A1CYP3A4CA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563438-A Organic compounds 奇华顿股份有限公司 2019-04-02 CN disclosed
CN-109476570-A 6-isopropyl-2, 4-dimethylcyclohexen-1-ol compounds as fragrance ingredients 奇华顿股份有限公司 2019-03-15 CN disclosed
CN-107848924-A The pungent alcohol of 6 alkene 1 of 2,4,7 trimethyls as fragrance component 奇华顿股份有限公司 2018-03-27 CN disclosed
EP-2413191-B1 Actinic-ray- or radiation-sensitive resin composition, resist film therefrom and method of forming pattern therewith FUJIFILM CORP (JP) 2016-09-07 EP disclosed
US-20100143273-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL S.A. (FR) 2010-06-10 US disclosed
EP-2083789-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'Oréal (FR) 2009-08-05 EP disclosed
WO-2008061985-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL (FR) 2008-05-29 WO disclosed
US-5998635-A CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 US disclosed