SCHEMBL8003890

SCHEMBL8003890

[CH2]CCOC#CCCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.37
HMGCR P04035 3/20 0.37
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 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
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.30

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
SCHEMBL8000469 1.00 PTPN7 (0.37) PTPN7HMGCRRECQLTDP1KCNH2
SCHEMBL8000605 1.00 PTPN7 (0.37) PTPN7HMGCRRECQLTDP1KCNH2
SCHEMBL8000478 1.00 PTPN7 (0.37) PTPN7HMGCRRECQLTDP1KCNH2
SCHEMBL7998475 1.00 PTPN7 (0.37) PTPN7HMGCRRECQLTDP1KCNH2
SCHEMBL7996962 0.90 PTPN7 (0.36) PTPN7HMGCRRECQLTDP1KCNH2
SCHEMBL8000454 0.90 PTPN7 (0.36) PTPN7HMGCRRECQLTDP1KCNH2
SCHEMBL7998356 0.90 PTPN7 (0.36) PTPN7HMGCRRECQLTDP1KCNH2
SCHEMBL8000493 0.90 PTPN7 (0.36) PTPN7HMGCRRECQLTDP1KCNH2
SCHEMBL8003933 0.90 PTPN7 (0.36) PTPN7HMGCRRECQLTDP1KCNH2
SCHEMBL3032193 0.89 PTPN7 (0.35) PTPN7HMGCRRECQLTDP1KCNH2

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