SCHEMBL8621791

SCHEMBL8621791

CCc1cccc2c1C(c1ccc3c(c1)OCO3)=C(C(=O)O)C2c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.46
EDNRB P24530 3/20 0.46
FABP7 O15540 1/20 0.45
FABP3 P05413 1/20 0.45
FABP5 Q01469 1/20 0.45

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
SCHEMBL8623773 0.92 EDNRB (0.50) EDNRAEDNRB
SCHEMBL7947118 0.89 SCN9A (0.44)
SCHEMBL7531670 0.86 FABP7 (0.49) EDNRAEDNRBFABP7FABP3FABP5
SCHEMBL8620562 0.85 FABP7 (0.52) EDNRAEDNRBFABP7FABP3FABP5
SCHEMBL8625510 0.84 EDNRB (0.43) EDNRAEDNRB
SCHEMBL8622123 0.83 SCN9A (0.46) EDNRAEDNRB
SCHEMBL8678053 0.81 EDNRA (0.53) EDNRAEDNRB
SCHEMBL8621789 0.78 ABCB1 (0.46) EDNRAEDNRB
SCHEMBL7531484 0.76 EDNRA (0.56) EDNRAEDNRB
SCHEMBL8620427 0.75 EDNRA (0.43) EDNRAEDNRB

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