SCHEMBL7951952

SCHEMBL7951952

CCCCOc1ccc2c(c1)C(OC(C)C)=C(C(=O)O)C(c1ccc3c(c1)OCO3)O2

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.73

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
SCHEMBL7950518 0.91 EDNRB (0.63) EDNRB
SCHEMBL28742795 0.89 EDNRB (0.62) EDNRB
SCHEMBL28742792 0.88 EDNRB (0.61) EDNRB
SCHEMBL7943851 0.85 EDNRB (0.76) EDNRB
SCHEMBL7952779 0.84 EDNRB (0.95) EDNRB
SCHEMBL7956965 0.82 EDNRB (0.78) EDNRB
SCHEMBL7952334 0.82 EDNRB (0.73) EDNRB
SCHEMBL7943804 0.80 EDNRB (0.87) EDNRB
SCHEMBL7954475 0.80 EDNRB (0.71) EDNRB
SCHEMBL7943809 0.78 EDNRB (1.00) EDNRB

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-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