SCHEMBL7340209

SCHEMBL7340209

CCCc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 0.72
EDNRB P24530 12/20 0.72
AGTR1 P30556 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38

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
SCHEMBL7331026 0.94 EDNRA (0.63) EDNRAEDNRBAGTR1
SCHEMBL7339397 0.88 EDNRA (0.88) EDNRAEDNRBAGTR1
SCHEMBL7339705 0.86 EDNRA (0.76) EDNRAEDNRBAGTR1
SCHEMBL7333156 0.85 EDNRA (0.85) EDNRAEDNRBAGTR1
SCHEMBL7366755 0.85 EDNRA (0.75) EDNRAEDNRBAGTR1
SCHEMBL7339926 0.85 EDNRA (0.76) EDNRAEDNRBAGTR1
SCHEMBL7335276 0.84 EDNRA (0.73) EDNRAEDNRBAGTR1
L-754142 SCHEMBL29551244 0.84 EDNRA (1.00) EDNRAEDNRBAGTR1
L-754142 SCHEMBL4193035 0.84 EDNRA (1.00) EDNRAEDNRBAGTR1
SCHEMBL7341739 0.84 EDNRA (0.88) 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