SCHEMBL6661772

SCHEMBL6661772

CCCOc1ccc2c(c1)c(-c1ccc(OC)cc1)c(OC(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.79
EDNRA P25101 7/20 0.61
PLA2G2A P14555 4/20 0.40
PTGS2 P35354 1/20 0.38
PPARG P37231 1/20 0.36

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
SCHEMBL8592785 0.93 EDNRB (0.69) EDNRBEDNRAPLA2G2A
SCHEMBL8546992 0.93 EDNRB (0.69) EDNRBEDNRAPLA2G2APTGS2PPARG
SCHEMBL6660199 0.93 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8551602 0.93 EDNRB (0.69) EDNRBEDNRAPLA2G2A
SCHEMBL8550230 0.92 EDNRB (0.66) EDNRBEDNRAPLA2G2APTGS2
SCHEMBL8549097 0.91 EDNRB (0.67) EDNRBEDNRAPLA2G2A
SCHEMBL8550347 0.91 EDNRB (0.66) EDNRBEDNRAPLA2G2A
SCHEMBL8550822 0.91 EDNRB (0.66) EDNRBEDNRAPLA2G2A
SCHEMBL8550789 0.91 EDNRB (0.73) EDNRBEDNRAPLA2G2A
SCHEMBL8548888 0.91 EDNRB (0.65) EDNRBEDNRAPLA2G2A

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-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 EP claimed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 WO claimed
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP claimed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO claimed
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 EP disclosed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 WO disclosed
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed