SCHEMBL28474184

SCHEMBL28474184

[C]#CCCCCCC(C)C#CCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.38
PTPN7 P35236 4/20 0.34
OPRM1 P35372 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL60064 0.84 HMGCR (0.40) HMGCRPTPN7RECQLTDP1LMNA
SCHEMBL60156 0.79 HMGCR (0.35) HMGCRPTPN7
SCHEMBL24604226 0.78 DNM1 (0.39) HMGCRPTPN7SPHK1
SCHEMBL19433888 0.78 OPRM1 (0.40) HMGCROPRM1SPHK1
SCHEMBL29647839 0.76 OPRM1 (0.48) OPRM1SPHK1LMNA
SCHEMBL16782308 0.76 OPRM1 (0.48) OPRM1SPHK1LMNA
SCHEMBL131107 0.76 TSHR (0.50) HMGCRPTPN7LMNA
SCHEMBL38737 0.76 TSHR (0.50) HMGCRPTPN7LMNA
SCHEMBL1610253 0.76 TSHR (0.50) HMGCRPTPN7LMNA
SCHEMBL22721290 0.76 TSHR (0.50) HMGCRPTPN7LMNA

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
CN-111757920-A Organic-inorganic hybrid monolithic assembly and method 佛罗里达州立大学研究基金会有限公司 2020-10-09 CN disclosed