SCHEMBL8109239

SCHEMBL8109239

COC(=O)C(Sc1nc(OC)cc(OC)n1)C(C)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.57
EDNRA P25101 13/20 0.57

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 0.85 EDNRB (0.49) EDNRBEDNRA
SCHEMBL8116655 0.84 EDNRB (0.46) EDNRBEDNRA
SCHEMBL1069539 0.81 EDNRB (0.55) EDNRBEDNRA
SCHEMBL8109657 0.79 EDNRB (0.84) EDNRBEDNRA
SCHEMBL7934306 0.79 EDNRB (0.46) EDNRBEDNRA
SCHEMBL8098308 0.77 EDNRB (0.50) EDNRBEDNRA
SCHEMBL7928120 0.77 EDNRB (0.44) EDNRBEDNRA
SCHEMBL9408612 0.74 EDNRB (0.45) EDNRBEDNRA
SCHEMBL8113638 0.74 EDNRB (0.77) EDNRBEDNRA
SCHEMBL7934373 0.72 ALOX5 (0.41) 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
EP-0969841-A1 USE OF CARBOXYLIC ACID DERIVATIVES FOR TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1998041206-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed