SCHEMBL4052897

SCHEMBL4052897

CCCCC#CC#CCCCCCCCO

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.59
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.55
PTPN7 P35236 4/20 0.53
SELP P16109 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL17965716 1.00 HMGCR (0.59) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL15283356 1.00 HMGCR (0.59) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL5973668 0.95 LMNA (0.62) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL415766 0.95 LMNA (0.62) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL8924854 0.95 LMNA (0.62) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL10397636 0.95 LMNA (0.62) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL7057327 0.95 LMNA (0.62) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL131748 0.95 LMNA (0.62) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL5872593 0.95 LMNA (0.62) HMGCRLMNAALDH1A1HSD17B10MEN1
SCHEMBL4053328 0.93 LMNA (0.59) HMGCRLMNAALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059496-A1 ACETYLENIC COMPOUNDS Commonwealth Scientific and Industrial Research Organisation (AU) 2009-05-20 EP disclosed
WO-2008031157-A1 ACETYLENIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-03-20 WO disclosed
WO-2008031157-A1 ACETYLENIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-03-20 WO disclosed