SCHEMBL7987744

SCHEMBL7987744

C[CH]OC#CCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.39
PTPN7 P35236 5/20 0.39
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
KCNH2 Q12809 1/20 0.34
SELP P16109 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7996952 1.00 HMGCR (0.39) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL8003900 1.00 HMGCR (0.39) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL7987921 1.00 HMGCR (0.39) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL7996819 1.00 HMGCR (0.39) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL7998473 0.81 HMGCR (0.38) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL8000474 0.81 HMGCR (0.38) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL8000604 0.81 HMGCR (0.38) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL4135428 0.81 PTPN7 (0.42) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL4144825 0.81 PTPN7 (0.42) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL8003889 0.81 HMGCR (0.38) HMGCRPTPN7RECQLTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288038-B1 ACCELERATE APOLIPOPROTEIN E PRODUCTION; NERVOUS SYSTEM DISORDERS, ALZHEIMER*S DISEASE; ANTILIPEMIC AGENTS NISSHIN SEIFUN GROUP INC. (JP) 2001-09-11 US disclosed
EP-1028126-A1 DEPSIPEPTIDE DERIVATIVES BEARING PIPERAZINONE RINGS Nisshin Flour Milling Co., Ltd. (JP) 2000-08-16 EP disclosed