SCHEMBL5872378

SCHEMBL5872378

CCC(C)(CC)CCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
CDC25B P30305 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL10814733 0.88 CYP3A4 (0.37) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL29163241 0.84 OPRM1 (0.38) LMNA
SCHEMBL10814728 0.83 MEN1 (0.38) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL473627 0.81 FFAR1 (0.41) MEN1CYP3A4ALOX15KMT2ABLM
SCHEMBL10922168 0.80
SCHEMBL28105635 0.80 LMNA (0.36) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL24296723 0.80 ALDH1A1 (0.41) MEN1CYP3A4ALOX15KMT2AALDH1A1
SCHEMBL22268914 0.80 LMNA (0.32) MEN1KMT2ALMNA
SCHEMBL1298190 0.79 MEN1 (0.41) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL9793534 0.77 MEN1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026473-B2 Process for the carbonylation of pentenenitrile SHELL OIL COMPANY (US) 2006-04-11 US disclosed