SCHEMBL7340962

SCHEMBL7340962

COC(=O)CCc1ccccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.66
EDNRB P24530 6/20 0.66
AGTR1 P30556 2/20 0.52

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
SCHEMBL7329161 0.92 EDNRA (0.69) EDNRAEDNRBAGTR1
SCHEMBL795556 0.91 EDNRA (0.79) EDNRAEDNRBAGTR1
SCHEMBL7331355 0.82 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7329183 0.80 EDNRA (0.86) EDNRAEDNRBAGTR1
SCHEMBL8903408 0.80 EDNRA (0.81) EDNRAEDNRBAGTR1
SCHEMBL8124977 0.80 EDNRA (0.81) EDNRAEDNRBAGTR1
SCHEMBL7338403 0.79 EDNRA (0.72) EDNRAEDNRBAGTR1
L-754142 SCHEMBL29551244 0.79 EDNRA (1.00) EDNRAEDNRBAGTR1
SCHEMBL7332944 0.79 EDNRA (0.88) EDNRAEDNRBAGTR1
L-754142 SCHEMBL4193035 0.79 EDNRA (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO claimed
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