SCHEMBL9717110

SCHEMBL9717110

CC(C)CCCC(C)CCCC(C)CCC[C@@](C)(O)CO

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.52
PTPN1 P18031 3/20 0.50
PTPN2 P17706 1/20 0.50
CDC25B P30305 1/20 0.50
BLM P54132 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL5201000 0.87 MEN1 (0.60) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL10340685 0.87 MEN1 (0.60) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL9403709 0.86 MEN1 (0.55) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL11700396 0.85 LMNA (0.61) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL16074981 0.85 MEN1 (0.58) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL29096779 0.85 ALOX15 (0.40) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL12999684 0.83 MEN1 (0.56) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL7034495 0.83 MEN1 (0.56) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL14047326 0.83 MEN1 (0.56) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL13057738 0.83 MEN1 (0.56) MEN1CYP3A4ALOX15KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153344-A Vitamin E intermediates and a process for their manufacture and conversion into vitamin E HOFFMAN-LA ROCHE INC. (US) 1992-10-06 US disclosed
EP-0269009-B1 METHOD FOR THE PRODUCTION OF CARBINOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-31 EP disclosed
US-5034546-A Novel vitamin E intermediates and a process for their manufacture and conversion into vitamin E HOFFMANN-LA ROCHE INC. (US) 1991-07-23 US disclosed
EP-0269009-A2 Method for the production of carbinol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-06-01 EP disclosed