SCHEMBL7339397

SCHEMBL7339397

CCCc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 15/20 0.88
EDNRB P24530 12/20 0.88
AGTR1 P30556 3/20 0.54
AGTR2 P50052 1/20 0.44

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
SCHEMBL7333156 0.95 EDNRA (0.85) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7330600 0.93 EDNRA (0.77) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7341739 0.93 EDNRA (0.88) EDNRAEDNRBAGTR1AGTR2
L-754142 SCHEMBL29551244 0.93 EDNRA (1.00) EDNRAEDNRBAGTR1AGTR2
L-754142 SCHEMBL4193035 0.93 EDNRA (1.00) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7337876 0.93 EDNRA (0.89) EDNRAEDNRBAGTR1AGTR2
L-754142 SCHEMBL4202655 0.93 EDNRA (0.98) EDNRAEDNRBAGTR1AGTR2
L-754142 SCHEMBL7722258 0.93 EDNRA (0.98) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7337181 0.92 EDNRA (0.80) EDNRAEDNRBAGTR1AGTR2
SCHEMBL9062175 0.92 EDNRA (0.85) EDNRAEDNRBAGTR1AGTR2

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 12 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 claimed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO claimed
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
EP-0774965-A4 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO INC (US) 1997-10-29 EP disclosed
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 US disclosed
EP-0774965-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO. INC. (US) 1997-05-28 EP 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