SCHEMBL4613243

SCHEMBL4613243

CCCCCCC1(C)CC(O)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTPN1 P18031 4/20 0.36
CDC25B P30305 3/20 0.36
ACP1 P24666 2/20 0.36
GAA P10253 1/20 0.36
PRKCA P17252 2/20 0.36
TYR P14679 1/20 0.36

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
SCHEMBL8943455 0.74 SIRT2 (0.52) SIRT2PTPN1CDC25BACP1GAA
SCHEMBL8943241 0.74 SIRT2 (0.52) SIRT2PTPN1CDC25BACP1GAA
SCHEMBL21961902 0.72 SIRT2 (0.45) SIRT2PTPN1CDC25BACP1PRKCA
SCHEMBL17696764 0.72 SIRT2 (0.45) SIRT2PTPN1CDC25BACP1PRKCA
SCHEMBL11487039 0.71 STS (0.41) PTPN1
SCHEMBL21961906 0.70 SIRT2 (0.42) SIRT2PTPN1CDC25BACP1PRKCA
SCHEMBL15526485 0.68 SIRT2 (0.53) SIRT2PTPN1CDC25BACP1PRKCA
SCHEMBL663852 0.68 SIRT2 (0.53) SIRT2PTPN1CDC25BACP1PRKCA
SCHEMBL112728 0.68 SIRT2 (0.53) SIRT2PTPN1CDC25BACP1PRKCA
SCHEMBL10186569 0.68 SIRT2 (0.53) SIRT2PTPN1CDC25BACP1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1055654-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS DAICEL CHEM (JP) 2008-02-20 EP disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed