SCHEMBL7335276

SCHEMBL7335276

CCCc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)c1ccc2c(c1)OCO2

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.73
EDNRB P24530 16/20 0.73
AGTR1 P30556 2/20 0.46

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
SCHEMBL5494850 0.95 EDNRA (0.65) EDNRAEDNRBAGTR1
SCHEMBL7339705 0.94 EDNRA (0.76) EDNRAEDNRBAGTR1
SCHEMBL7366755 0.91 EDNRA (0.75) EDNRAEDNRBAGTR1
SCHEMBL7339926 0.90 EDNRA (0.76) EDNRAEDNRBAGTR1
SCHEMBL7339397 0.89 EDNRA (0.88) EDNRAEDNRBAGTR1
SCHEMBL5496424 0.88 EDNRA (0.65) EDNRAEDNRBAGTR1
SCHEMBL5489155 0.88 EDNRA (0.66) EDNRAEDNRBAGTR1
SCHEMBL7330600 0.87 EDNRA (0.77) EDNRAEDNRBAGTR1
SCHEMBL7331694 0.86 EDNRA (0.73) EDNRAEDNRBAGTR1
SCHEMBL7333156 0.86 EDNRA (0.85) 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 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