SCHEMBL9709503

SCHEMBL9709503

C=CC(C)(Cl)CCCC(C)(Cl)CCCC(C)CCCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.36
PTPN1 P18031 3/20 0.36
PTPN2 P17706 1/20 0.34
CDC25B P30305 1/20 0.34

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
SCHEMBL10731699 0.89 MEN1 (0.44) MEN1CYP3A4ALOX15KMT2A
SCHEMBL9709450 0.78 MEN1 (0.48) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL29659795 0.74 ALOX15 (1.00) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL4437129 0.74 ALOX15 (1.00) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL21429 0.74 ALOX15 (1.00) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL8079400 0.74 ALOX15 (1.00) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL15824175 0.74 ALOX15 (1.00) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL17239377 0.74 ALOX15 (1.00) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL8082488 0.74 ALOX15 (1.00) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL9709436 0.71 PTPN1 (0.54) 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-4665244-A Chlorinated derivatives of hexadecene, their preparation and their use in the synthesis of vitamin E RHONE-POULENC SANTE (FR) 1987-05-12 US claimed
US-5175346-A Catalyst mixture of cuprous chloride and quaternary ammonium salt RHONE-POULENC SANTE (FR) 1992-12-29 US disclosed
US-4665244-A Chlorinated derivatives of hexadecene, their preparation and their use in the synthesis of vitamin E RHONE-POULENC SANTE (FR) 1987-05-12 US disclosed
US-4636570-A Tocopherol derivatives useful in the synthesis of vitamin E and their preparation RHONE-POULENC SANTE (FR) 1987-01-13 US disclosed