SCHEMBL7944005

SCHEMBL7944005

CCCCN(C)C1=C(C(=O)OC)C(c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.63

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
SCHEMBL27516392 0.87 EDNRB (0.61) EDNRB
SCHEMBL27516393 0.86 EDNRB (0.62) EDNRB
SCHEMBL7950518 0.82 EDNRB (0.63) EDNRB
SCHEMBL7956806 0.80 EDNRB (0.64) EDNRB
SCHEMBL7957198 0.79 EDNRB (0.75) EDNRB
SCHEMBL7950870 0.77 EDNRB (0.84) EDNRB
SCHEMBL7952779 0.77 EDNRB (0.95) EDNRB
SCHEMBL7944008 0.76 EDNRB (0.38) EDNRB
SCHEMBL7952334 0.75 EDNRB (0.73) EDNRB
SCHEMBL8309784 0.75 EDNRB (0.66) 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 2 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
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 EP disclosed