SCHEMBL8109657

SCHEMBL8109657

COC(=O)C(Oc1nc(OC)cc(OC)n1)C(C)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.84
EDNRA P25101 20/20 0.84

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
SCHEMBL8113638 0.91 EDNRB (0.77) EDNRBEDNRA
SCHEMBL6781616 0.84 EDNRB (0.65) EDNRBEDNRA
SCHEMBL8200442 0.84 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8703985 0.82 EDNRB (0.62) EDNRBEDNRA
SCHEMBL1068402 0.81 EDNRB (0.81) EDNRBEDNRA
SCHEMBL6708961 0.81 EDNRB (0.64) EDNRBEDNRA
SCHEMBL2350734 0.81 EDNRB (0.81) EDNRBEDNRA
SCHEMBL8704342 0.81 EDNRB (0.60) EDNRBEDNRA
SCHEMBL8701757 0.80 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8706689 0.80 EDNRB (0.59) 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 5 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
EP-0969841-A1 USE OF CARBOXYLIC ACID DERIVATIVES FOR TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-5840722-A ADMINISTERING TO INHIBIT ENDOTHELIN RECEPTORS BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
WO-1998041206-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
US-5661106-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-08-26 US disclosed