SCHEMBL7923892

SCHEMBL7923892

CCCOc1ccc2c(c1)C(=O)C(C(=O)O)C2(C)c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.46
EDNRB P24530 5/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.41

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
SCHEMBL8620426 0.87 MAOB (0.52) EDNRAEDNRBNPC1RAB9A
SCHEMBL8294001 0.84 EDNRA (0.44) EDNRAEDNRBNPC1RAB9A
SCHEMBL8207341 0.83 CFTR (0.39) EDNRAEDNRBNPC1RAB9A
SCHEMBL8624507 0.74 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7665196 0.73 EDNRA (0.54) EDNRAEDNRB
SCHEMBL6951608 0.73 EDNRA (0.54) EDNRAEDNRB
SCHEMBL8622977 0.73 EDNRA (0.54) EDNRAEDNRB
SCHEMBL6955353 0.73 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7748131 0.72 NPC1 (0.41) EDNRAEDNRBNPC1RAB9A
SCHEMBL7659711 0.72 NPC1 (0.41) EDNRAEDNRBNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274737-B1 CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-08-14 US disclosed
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
WO-1993008799-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 WO disclosed