SCHEMBL8000490

SCHEMBL8000490

CCC[CH]OC#CCCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.37
PTPN7 P35236 5/20 0.37
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SELP P16109 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 3/20 0.32
THRB P10828 1/20 0.32
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL8003931 1.00 HMGCR (0.37) HMGCRPTPN7RECQLTDP1SELP
SCHEMBL8000450 1.00 HMGCR (0.37) HMGCRPTPN7RECQLTDP1SELP
SCHEMBL7998354 1.00 HMGCR (0.37) HMGCRPTPN7RECQLTDP1SELP
SCHEMBL7996959 1.00 HMGCR (0.37) HMGCRPTPN7RECQLTDP1SELP
SCHEMBL3032190 0.90 HMGCR (0.36) HMGCRPTPN7RECQLTDP1TSHR
SCHEMBL8000474 0.86 HMGCR (0.38) HMGCRPTPN7RECQLTDP1SELP
SCHEMBL8003889 0.86 HMGCR (0.38) HMGCRPTPN7RECQLTDP1SELP
SCHEMBL7998473 0.86 HMGCR (0.38) HMGCRPTPN7RECQLTDP1SELP
SCHEMBL8000604 0.86 HMGCR (0.38) HMGCRPTPN7RECQLTDP1SELP
SCHEMBL8000467 0.86 HMGCR (0.38) HMGCRPTPN7RECQLTDP1SELP

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