SCHEMBL9529939

SCHEMBL9529939

CCCCCCCCCCCCCCCCC#CC(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.48
HMGCR P04035 3/20 0.48
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NAAA Q02083 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
SCHEMBL14873844 1.00 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL1101207 1.00 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL9336094 1.00 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL1089589 0.98 PTPN7 (0.46) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL1088906 0.92 HMGCR (0.40) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL29248381 0.87 PTPN7 (0.47) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL9336139 0.87 CYP4F2 (0.43) PTPN7HMGCRALDH1A1MEN1KMT2A
SCHEMBL11067939 0.86 ALDH1A1 (0.49) PTPN7RECQLTDP1ALDH1A1MAPT
SCHEMBL11067937 0.86 ALDH1A1 (0.49) PTPN7RECQLTDP1ALDH1A1MAPT
SCHEMBL4229900 0.85 NAAA (0.47) PTPN7HMGCRRECQLTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238202-B1 GLYCEROL DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1993-04-28 EP disclosed
US-5068340-A Antagonist of platelet activating factor for treatment of asthma, inflammation or shock SANKYO COMPANY, LIMITED (JP) 1991-11-26 US disclosed
EP-0238202-A2 Glycerol derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-09-23 EP disclosed