SCHEMBL7333290

SCHEMBL7333290

CCCc1cc(CO[Si](C)(C)C(C)(C)C)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.71
EDNRB P24530 11/20 0.71
AGTR1 P30556 3/20 0.63
AGTR2 P50052 1/20 0.53

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
SCHEMBL7333006 0.88 EDNRA (0.79) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7329588 0.87 EDNRA (0.78) EDNRAEDNRBAGTR1AGTR2
SCHEMBL8909954 0.86 EDNRA (0.77) EDNRAEDNRBAGTR1AGTR2
SCHEMBL8906905 0.86 EDNRA (0.52) EDNRAEDNRBAGTR1
SCHEMBL7336102 0.85 EDNRA (0.75) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7332944 0.85 EDNRA (0.88) EDNRAEDNRBAGTR1AGTR2
SCHEMBL8903408 0.84 EDNRA (0.81) EDNRAEDNRBAGTR1AGTR2
SCHEMBL8124977 0.84 EDNRA (0.81) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7331707 0.84 EDNRA (0.48) EDNRAEDNRBAGTR1
SCHEMBL7333563 0.84 EDNRA (0.57) EDNRAEDNRBAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617001-B1 Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 2000-01-26 EP disclosed
US-5767310-A Phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1998-06-16 US disclosed
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 US disclosed
US-5565485-A TREATING CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1996-10-15 US disclosed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed
WO-1994021590-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 EP disclosed