SCHEMBL8200442

SCHEMBL8200442

COC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)(OCc1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.64
EDNRA P25101 19/20 0.64

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
SCHEMBL8100747 0.91 EDNRB (0.67) EDNRBEDNRA
SCHEMBL8109657 0.84 EDNRB (0.84) EDNRBEDNRA
SCHEMBL6781616 0.82 EDNRB (0.65) EDNRBEDNRA
SCHEMBL6710406 0.81 EDNRB (0.56) EDNRBEDNRA
SCHEMBL8116655 0.80 EDNRB (0.46) EDNRBEDNRA
SCHEMBL8703985 0.80 EDNRB (0.62) EDNRBEDNRA
SCHEMBL1068402 0.78 EDNRB (0.81) EDNRBEDNRA
SCHEMBL6708961 0.78 EDNRB (0.64) EDNRBEDNRA
SCHEMBL2350734 0.78 EDNRB (0.81) EDNRBEDNRA
SCHEMBL6712034 0.78 EDNRB (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030975-A ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5840722-A ADMINISTERING TO INHIBIT ENDOTHELIN RECEPTORS BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
US-5703017-A HERBICIDES, PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed