SCHEMBL9756520

SCHEMBL9756520

CCC(C)(CCCC(C)C)OOOC(=O)OC(C)C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10339783 0.78 MEN1 (0.39) LMNACYP3A4
SCHEMBL224380 0.77 TSHR (0.32) LMNA
SCHEMBL9807607 0.75 CA2 (0.47) CYP3A4TDP1
SCHEMBL9807617 0.74
SCHEMBL95093 0.74 LMNA (0.33) LMNA
SCHEMBL9807608 0.74 MEN1 (0.31) CYP3A4
SCHEMBL24277 0.73 TSHR (0.37) ALDH1A1TDP1
SCHEMBL7934192 0.72 TSHR (0.34)
SCHEMBL9128474 0.70 ALDH1A1 (0.43) LMNAALDH1A1
SCHEMBL17847292 0.70 MEN1 (0.33) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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