SCHEMBL8622689

SCHEMBL8622689

COC(=O)C1=C(c2ccc3c(c2)OCO3)c2ccc(OCc3ccccc3)cc2C1(O)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.52
EDNRB P24530 12/20 0.52
MAOB P27338 1/20 0.46

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
SCHEMBL7533979 0.94 EDNRA (0.55) EDNRAEDNRBMAOB
SCHEMBL9543742 0.85 EDNRA (0.49) EDNRAEDNRB
SCHEMBL7538071 0.80 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8626015 0.80 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8622694 0.79 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7814457 0.79 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7531865 0.76 PPARG (0.60) EDNRAEDNRBMAOB
SCHEMBL8626955 0.75 CYP3A4 (0.42) EDNRAEDNRB
SCHEMBL8627743 0.74 EDNRA (0.40) EDNRAEDNRB
SCHEMBL3572757 0.73 PPARG (0.50) MAOB

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-5817693-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 1998-10-06 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed