SCHEMBL7330600

SCHEMBL7330600

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

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 15/20 0.77
EDNRB P24530 10/20 0.77
AGTR1 P30556 3/20 0.53
AGTR2 P50052 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL7338224 0.95 EDNRA (0.75) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7339397 0.93 EDNRA (0.88) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7329183 0.93 EDNRA (0.86) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7333529 0.93 EDNRA (0.76) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7331709 0.92 EDNRA (0.75) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7338911 0.92 EDNRA (0.77) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7339608 0.91 EDNRA (0.69) EDNRAEDNRBAGTR1AGTR2
SCHEMBL2561123 0.91 EDNRA (0.73) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7337610 0.91 EDNRA (0.73) EDNRAEDNRBAGTR1AGTR2
SCHEMBL5494850 0.90 EDNRA (0.65) 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