SCHEMBL7340680

SCHEMBL7340680

CC(C)c1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(N(C)C)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 15/20 0.69
EDNRB P24530 11/20 0.69
AGTR1 P30556 2/20 0.44

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
SCHEMBL8789252 0.93 EDNRA (0.79) EDNRAEDNRBAGTR1
SCHEMBL7339468 0.87 EDNRA (0.84) EDNRAEDNRBAGTR1
SCHEMBL7331230 0.82 EDNRA (0.83) EDNRAEDNRBAGTR1
L-754142 SCHEMBL29551244 0.81 EDNRA (1.00) EDNRAEDNRBAGTR1
L-754142 SCHEMBL4193035 0.81 EDNRA (1.00) EDNRAEDNRBAGTR1
L-754142 SCHEMBL7722258 0.81 EDNRA (0.98) EDNRAEDNRBAGTR1
L-754142 SCHEMBL4202655 0.81 EDNRA (0.98) EDNRAEDNRBAGTR1
SCHEMBL2561123 0.80 EDNRA (0.73) EDNRAEDNRBAGTR1
SCHEMBL25013425 0.79 EDNRA (0.70) EDNRAEDNRBAGTR1
SCHEMBL7397394 0.78 EDNRA (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0774965-A4 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO INC (US) 1997-10-29 EP disclosed
EP-0774965-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO. INC. (US) 1997-05-28 EP disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed