SCHEMBL8098308

SCHEMBL8098308

COc1cc(OC)nc(SC(C(=O)O)C(C)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.50
EDNRA P25101 14/20 0.50

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
SCHEMBL7937196 0.90 EDNRB (0.49) EDNRBEDNRA
SCHEMBL9588704 0.83 EDNRB (0.41) EDNRBEDNRA
SCHEMBL7934306 0.83 EDNRB (0.46) EDNRBEDNRA
SCHEMBL1069539 0.79 EDNRB (0.55) EDNRBEDNRA
SCHEMBL7928120 0.79 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9051577 0.78 EDNRB (0.40) EDNRBEDNRA
SCHEMBL8109239 0.77 EDNRB (0.57) EDNRBEDNRA
SCHEMBL8943529 0.77 EDNRB (0.37) EDNRBEDNRA
SCHEMBL9051600 0.77 EDNRB (0.40) EDNRBEDNRA
SCHEMBL9050654 0.76 EDNRB (0.39) EDNRBEDNRA

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-1060168-A2 METHOD FOR PREPARING SULFANYL-TYPE ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-12-20 EP disclosed
WO-1999044988-A2 METHOD FOR PREPARING SULFANYL-TYPE ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1999-09-10 WO disclosed