SCHEMBL9709450

SCHEMBL9709450

C=CC(C)(CCCC(C)(Cl)CCCC(C)CCCC(C)C)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN1 P18031 3/20 0.39
BLM P54132 1/20 0.36
LMNA P02545 1/20 0.33
PTPN2 P17706 1/20 0.32
CDC25B P30305 1/20 0.32

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
SCHEMBL8156416 0.86 MEN1 (0.45) MEN1CYP3A4ALOX15KMT2APTPN1
SCHEMBL9709618 0.82 GAA (0.34)
SCHEMBL16465243 0.81 CYP3A4 (0.41) MEN1CYP3A4ALOX15KMT2APTPN1
SCHEMBL16463642 0.79 CYP3A4 (0.38) MEN1CYP3A4ALOX15KMT2APTPN1
SCHEMBL9017162 0.79 PTPN1 (0.54) MEN1CYP3A4ALOX15KMT2APTPN1
SCHEMBL9017168 0.79 PTPN1 (0.54) MEN1CYP3A4ALOX15KMT2APTPN1
SCHEMBL9709503 0.78 MEN1 (0.58) MEN1CYP3A4ALOX15KMT2APTPN1
SCHEMBL28851638 0.73 CYP3A4 (0.44) MEN1CYP3A4ALOX15KMT2ABLM
SCHEMBL13896293 0.72 MEN1 (0.48) MEN1CYP3A4ALOX15KMT2APTPN1
SCHEMBL13896285 0.71 MEN1 (0.54) MEN1CYP3A4ALOX15KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175346-A Catalyst mixture of cuprous chloride and quaternary ammonium salt RHONE-POULENC SANTE (FR) 1992-12-29 US disclosed