SCHEMBL7954475

SCHEMBL7954475

CC(C)Oc1ccc2c(c1)C(Cl)=C(C(=O)O)C(c1ccc3c(c1)OCO3)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.71
EDNRA P25101 1/20 0.71

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
SCHEMBL7956806 0.90 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7943851 0.87 EDNRB (0.76) EDNRBEDNRA
SCHEMBL27561156 0.86 EDNRB (0.61) EDNRB
SCHEMBL7943804 0.86 EDNRB (0.87) EDNRBEDNRA
SCHEMBL27561155 0.86 EDNRB (0.58) EDNRBEDNRA
SCHEMBL7954997 0.84 EDNRB (0.57) EDNRBEDNRA
SCHEMBL7943835 0.84 EDNRB (0.67) EDNRBEDNRA
SCHEMBL7956965 0.84 EDNRB (0.78) EDNRBEDNRA
SCHEMBL7943809 0.83 EDNRB (1.00) EDNRBEDNRA
SCHEMBL27934789 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103271904-A Nitric oxide donor endothelin receptor antagonist as well as preparation method and application thereof UNIV SOUTHEAST 2013-09-04 CN disclosed
US-6218427-B1 AS ENDOTHELIN RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2001-04-17 US disclosed
CN-1234029-A Chromene-3-carboxylate derivative SHIONOGI & CO (JP) 1999-11-03 CN disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 EP disclosed