SCHEMBL7840901

SCHEMBL7840901

COC(=O)COc1cc(OC)ccc1C=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 1/20 0.53
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
HDAC8 Q9BY41 5/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ERN1 O75460 1/20 0.47
MAPK1 P28482 1/20 0.47
LY96 Q9Y6Y9 1/20 0.47
LMNA P02545 1/20 0.45

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
SCHEMBL7682529 0.88 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8121860 0.88 KDM4E (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL177349 0.87 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29707984 0.87 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7840891 0.87 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL15331330 0.86 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2558788 0.85 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27299068 0.84 MAPT (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29957035 0.83 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ERAB9ATRIM24
SCHEMBL29951784 0.82 POLB (0.60) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882030-B1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GMBH (DE) 2001-09-12 EP disclosed
EP-0733631-B1 Benzofuran derivates useful as hypoglycemic and hypolidemic agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-07-12 EP disclosed
US-6017939-A 2,1,3-benzothia(OXA)diazole derivatives having an endothelin receptor antagonistic effect MERCK PATENT GESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0882030-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GmbH (DE) 1998-12-09 EP disclosed
WO-1998042702-A1 ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-10-01 WO disclosed
US-5723479-A ANTILIPEMIC AGENTS AND ANTIGLYCEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-03 US disclosed
WO-1997030982-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-08-28 WO disclosed
EP-0733631-A1 Benzofuran derivates useful as hypoglycemic and hypolidemic agents Takeda Chemical Industries, Ltd. (JP) 1996-09-25 EP disclosed