SCHEMBL9756530

SCHEMBL9756530

CCC(C)(CCCC(C)C)OO

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.33

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
SCHEMBL10339783 0.86 MEN1 (0.39) MEN1CYP3A4ALOX15KMT2ATSHR
SCHEMBL11514263 0.81 TSHR (0.39) TSHR
SCHEMBL4605879 0.80 MEN1 (0.40) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL11411026 0.80 MEN1 (0.36) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL7933367 0.80 TSHR (0.46) TSHR
SCHEMBL7117349 0.77 MEN1 (0.34) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL8769679 0.75
SCHEMBL473499 0.75 GAA (0.41) MEN1CYP3A4ALOX15KMT2A
SCHEMBL21596548 0.75 MEN1 (0.37) MEN1CYP3A4ALOX15KMT2A
SCHEMBL813659 0.75 MEN1 (0.33) MEN1CYP3A4ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2262556-A None JP disclosed
JP-3197456-A None JP disclosed
JP-H03197456-A 1-ETHYL-1,5-DIMETHYLHEXYLPEROXYCARBONATE, PREPARATION AND ITS USE NIPPON OIL & FATS CO LTD 1991-08-28 JP disclosed
US-5012010-A Polymerization initiators, curing or crosslinking agent NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-04-30 US disclosed
JP-H02262556-A 1-ETHYL-1,5-DIMETHYLHEXYLPEROXY ACID ESTER, ITS PRODUCTION RAW MATERIAL AND USE NIPPON OIL & FATS CO LTD 1990-10-25 JP disclosed