SCHEMBL8625510

SCHEMBL8625510

CCc1cccc2c1C(c1ccc3c(c1)OCO3)=C(C(=O)O)C2c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TERT O14746 1/20 0.41
EDNRA P25101 1/20 0.39

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
SCHEMBL7947118 0.92 SCN9A (0.44)
SCHEMBL8623773 0.89 EDNRB (0.50) EDNRBEDNRA
SCHEMBL7535022 0.88 CTNNB1 (0.40) EDNRBHSP90AA1HSP90AB1TERTEDNRA
SCHEMBL8622123 0.86 SCN9A (0.46) EDNRBTERTEDNRA
SCHEMBL8621791 0.84 EDNRA (0.46) EDNRBEDNRA
SCHEMBL8620562 0.83 FABP7 (0.52) EDNRBEDNRA
SCHEMBL7534434 0.83 PTGS2 (0.43)
SCHEMBL8678053 0.78 EDNRA (0.53) EDNRBEDNRA
SCHEMBL8625505 0.75 PRKCI (0.47)
SCHEMBL7534280 0.73 PTGS2 (0.47)

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