SCHEMBL4316161

SCHEMBL4316161

CC(=O)C1(C(C)C)CCCCCC(C2=CCCCCCC2)=C1C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL4316156 1.00 PSMB5 (0.31) PSMB5ALDH1A1CYP3A4FFAR4
SCHEMBL2237602 0.69 ALDH1A1 (0.43) ALDH1A1CYP3A4
Isopropyl Alcohol SCHEMBL10778181 0.64 ACMSD (0.33) PSMB5FFAR4
SCHEMBL10884031 0.64 ALDH1A1 (0.42) ALDH1A1CYP3A4FFAR4
SCHEMBL9419035 0.64 PSMB5 (0.36) PSMB5ALDH1A1CYP3A4FFAR4
SCHEMBL28414825 0.64 PSMB5 (0.36) PSMB5ALDH1A1CYP3A4FFAR4
SCHEMBL11420792 0.64 ACMSD (0.38) ALDH1A1CYP3A4FFAR4
SCHEMBL11420793 0.64 ACMSD (0.38) ALDH1A1CYP3A4FFAR4
SCHEMBL5826246 0.64 ACMSD (0.45) ALDH1A1CYP3A4FFAR4
SCHEMBL8422501 0.64 ACMSD (0.45) ALDH1A1CYP3A4FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP disclosed
CN-102357061-B Fragrance composition KAO CORP 2013-09-04 CN disclosed
CN-102357061-A Fragrance composition KAO CORP 2012-02-22 CN disclosed
CN-101579292-A Perfume composition KAO CORP (JP) 2009-11-18 CN disclosed
CN-100522127-C Perfume composition KAO CORP (JP) 2009-08-05 CN disclosed
EP-2020225-A2 Fragrance composition Kao Corporation (JP) 2009-02-04 EP disclosed
US-20050245407-A1 Fragrance composition KAO CORPORATION (JP) 2005-11-03 US disclosed
CN-1674862-A Perfume composition KAO CORP (JP) 2005-09-28 CN disclosed
EP-1552814-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2005-07-13 EP disclosed
JP-2001302475-A COMPOSITION FOR ORAL CAVITY LION CORP 2001-10-31 JP disclosed