SCHEMBL9162227

SCHEMBL9162227

C=CC#CC#CCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 8/20 0.48
PTPN7 P35236 4/20 0.48
SELP P16109 1/20 0.40
TSHR P16473 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
SCHEMBL15809383 0.85 TSHR (0.42) HMGCRPTPN7TSHR
SCHEMBL8211305 0.85 TSHR (0.42) HMGCRPTPN7TSHR
SCHEMBL25374210 0.85 TSHR (0.42) HMGCRPTPN7TSHR
SCHEMBL8371875 0.85 TSHR (0.42) HMGCRPTPN7TSHR
SCHEMBL5856218 0.85 TSHR (0.42) HMGCRPTPN7TSHR
SCHEMBL621215 0.82
SCHEMBL8769477 0.82
SCHEMBL9744103 0.82 HMGCR (0.64) HMGCRPTPN7SELPTSHR
SCHEMBL2555532 0.82 HMGCR (0.64) HMGCRPTPN7SELPTSHR
SCHEMBL5184571 0.82 HMGCR (0.64) HMGCRPTPN7SELPTSHR

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-5442065-A Antitumor agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-15 US disclosed