SCHEMBL7951769

SCHEMBL7951769

COC(=O)C1C(=O)c2cc(OC(C)C)ccc2OC1c1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.54
EDNRA P25101 1/20 0.54

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
SCHEMBL7950913 0.85 ALDH1A1 (0.49)
SCHEMBL1772580 0.85 SMN1; SMN2 (0.54)
SCHEMBL7952916 0.84 MAOB (0.52)
SCHEMBL27499329 0.83 KDM4E (0.56)
SCHEMBL27499330 0.82 EDNRB (0.55) EDNRB
SCHEMBL7943851 0.75 EDNRB (0.76) EDNRBEDNRA
SCHEMBL7956733 0.75 RAB9A (0.67) EDNRBEDNRA
SCHEMBL8309784 0.74 EDNRB (0.66) EDNRBEDNRA
SCHEMBL7956806 0.74 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7956965 0.73 EDNRB (0.78) 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 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