SCHEMBL9547940

SCHEMBL9547940

COP(=O)(OC)OCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 7/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL4456869 0.81 CA1 (0.55) GSK3BKMT2AMAPTMEN1LMNA
SCHEMBL1154812 0.78 GSK3B (0.57) GSK3BKMT2AL3MBTL1MAPTHPGD
SCHEMBL9257364 0.76 LMNA (0.50) GSK3BKMT2AL3MBTL1MAPTHPGD
SCHEMBL31324508 0.75 IDO1 (0.50) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL15227042 0.73 NPC1 (0.50) L3MBTL1MAPTNPC1RAB9AKDM4E
SCHEMBL1155397 0.72 GSK3B (0.50) GSK3BKMT2AL3MBTL1MAPTHPGD
SCHEMBL1155564 0.72 ALDH1A1 (0.62) GSK3BKMT2AL3MBTL1MAPTHPGD
SCHEMBL28841619 0.71 MMP1 (0.56) GSK3BKMT2AL3MBTL1MAPTHPGD
SCHEMBL4452972 0.71 CA1 (0.62) GSK3BKMT2AMAPTMEN1RAB9A
SCHEMBL2773681 0.71 MAPT (0.52) GSK3BKMT2AL3MBTL1MAPTHPGD

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
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed