SCHEMBL10066030

SCHEMBL10066030

CCC(=O)OCCOc1nc(-c2ncccn2)nc(Cl)c1Oc1ccccc1OC

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.52
EDNRB P24530 11/20 0.52
DHPS P49366 1/20 0.46

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
SCHEMBL7787027 0.85 EDNRA (0.53) EDNRAEDNRBDHPS
SCHEMBL7793953 0.84 EDNRA (0.64) EDNRAEDNRBDHPS
SCHEMBL1009078 0.84 EDNRA (0.66) EDNRAEDNRBDHPS
SCHEMBL8007885 0.83 EDNRA (0.55) EDNRAEDNRBDHPS
SCHEMBL1009939 0.82 EDNRA (0.54) EDNRAEDNRB
SCHEMBL7793803 0.82 EDNRA (0.51) EDNRAEDNRBDHPS
SCHEMBL1008387 0.82 EDNRA (0.53) EDNRAEDNRBDHPS
SCHEMBL2489314 0.82 EDNRA (0.53) EDNRAEDNRBDHPS
SCHEMBL2489880 0.81 EDNRA (0.56) EDNRAEDNRB
SCHEMBL2490097 0.81 EDNRA (0.62) EDNRAEDNRBDHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012056468-A1 A PROCESS FOR THE PREPARATION OF BOSENTAN MATRIX LABORATORIES LTD (IN) 2012-05-03 WO disclosed