SCHEMBL6657735

SCHEMBL6657735

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3c2oc2ccccc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.77
MAPT P10636 2/20 0.45
RXFP1 Q9HBX9 1/20 0.43
EDNRA P25101 1/20 0.42

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
SCHEMBL6316175 0.89 EDNRB (0.81) EDNRBMAPTEDNRA
SCHEMBL6321599 0.87 EDNRB (1.00) EDNRB
SCHEMBL8548530 0.80 EDNRB (0.57) EDNRBMAPTEDNRA
SCHEMBL8550230 0.80 EDNRB (0.66) EDNRBMAPTEDNRA
SCHEMBL8699090 0.79 EDNRB (0.75) EDNRB
SCHEMBL8698304 0.79 EDNRB (0.75) EDNRB
SCHEMBL8550887 0.79 EDNRB (0.58) EDNRBMAPTEDNRA
SCHEMBL8551432 0.78 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8553797 0.78 EDNRB (0.55) EDNRBEDNRA
SCHEMBL8553494 0.77 EDNRB (0.52) EDNRBMAPTEDNRA

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-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