SCHEMBL7339705

SCHEMBL7339705

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

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.76
EDNRB P24530 16/20 0.76
AGTR1 P30556 2/20 0.47
HPGD P15428 1/20 0.40

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
SCHEMBL7335276 0.94 EDNRA (0.73) EDNRAEDNRBAGTR1
SCHEMBL7366755 0.93 EDNRA (0.75) EDNRAEDNRBAGTR1
SCHEMBL7339926 0.92 EDNRA (0.76) EDNRAEDNRBAGTR1
SCHEMBL7339397 0.91 EDNRA (0.88) EDNRAEDNRBAGTR1
SCHEMBL5494850 0.90 EDNRA (0.65) EDNRAEDNRBAGTR1HPGD
SCHEMBL7333156 0.88 EDNRA (0.85) EDNRAEDNRBAGTR1
SCHEMBL7331694 0.87 EDNRA (0.73) EDNRAEDNRBAGTR1
SCHEMBL7333203 0.86 EDNRA (0.68) EDNRAEDNRBAGTR1
SCHEMBL7332607 0.86 EDNRA (0.68) EDNRAEDNRBAGTR1
SCHEMBL7340209 0.86 EDNRA (0.72) 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
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