SCHEMBL6903679

SCHEMBL6903679

CCC#CC#CCCCCCCCCCCO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.44
PTPN7 P35236 1/20 0.44
SELP P16109 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1765934 0.87 HMGCR (0.41) HMGCRPTPN7SELPLMNAALDH1A1
SCHEMBL1168913 0.87 HMGCR (0.41) HMGCRPTPN7SELPLMNAALDH1A1
SCHEMBL1169234 0.87 HMGCR (0.41) HMGCRPTPN7SELPLMNAALDH1A1
SCHEMBL1169581 0.87 HMGCR (0.41) HMGCRPTPN7SELPLMNAALDH1A1
SCHEMBL1168708 0.87 HMGCR (0.41) HMGCRPTPN7SELPLMNAALDH1A1
SCHEMBL415766 0.86 LMNA (0.62) HMGCRPTPN7SELPLMNAALDH1A1
SCHEMBL15283356 0.86 HMGCR (0.59) HMGCRPTPN7SELPLMNAALDH1A1
SCHEMBL5973668 0.86 LMNA (0.62) HMGCRPTPN7SELPLMNAALDH1A1
SCHEMBL131748 0.86 LMNA (0.62) HMGCRPTPN7SELPLMNAALDH1A1
SCHEMBL10397636 0.86 LMNA (0.62) HMGCRPTPN7SELPLMNAALDH1A1

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-4228093-A (11Z,13Z)-11,13-Hexadecadiyn-1-ol and (11Z,13Z)-11,13-hexadecadien-1-ol and trimethylsilyl ethers thereof ZOECON CORPORATION (US) 1980-10-14 US claimed
EP-1192117-B1 (E8,Z10)-TETRADECA-8,10-DIENAL, THE METHOD OF ITS PREPARATION AND ITS USE AS SEXUAL ATTRACTANT FOR LEAFMINER MOTHS USTAV ORGANICKE CHEMIE A BIOCH (CZ) 2004-09-01 EP disclosed
US-4228093-A (11Z,13Z)-11,13-Hexadecadiyn-1-ol and (11Z,13Z)-11,13-hexadecadien-1-ol and trimethylsilyl ethers thereof ZOECON CORPORATION (US) 1980-10-14 US disclosed
US-4228093-A (11Z,13Z)-11,13-Hexadecadiyn-1-ol and (11Z,13Z)-11,13-hexadecadien-1-ol and trimethylsilyl ethers thereof ZOECON CORPORATION (US) 1980-10-14 US disclosed