SCHEMBL7397394

SCHEMBL7397394

CC(C)c1ccc(S(=O)(=O)NC(=O)C(Oc2ccc(S(=O)(=O)NC(=O)OC(C)(C)C)cc2C(C)C)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.62
EDNRB P24530 9/20 0.62
AGTR1 P30556 2/20 0.48

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
SCHEMBL7339367 0.89 EDNRA (0.75) EDNRAEDNRBAGTR1
SCHEMBL8789252 0.85 EDNRA (0.79) EDNRAEDNRBAGTR1
SCHEMBL7340680 0.78 EDNRA (0.69) EDNRAEDNRBAGTR1
SCHEMBL8124977 0.78 EDNRA (0.81) EDNRAEDNRBAGTR1
SCHEMBL7334516 0.77 EDNRA (0.58) EDNRAEDNRBAGTR1
SCHEMBL29525200 0.76 EDNRA (1.00) EDNRAEDNRBAGTR1
SCHEMBL8904132 0.76 EDNRA (0.78) EDNRAEDNRBAGTR1
SCHEMBL795556 0.76 EDNRA (0.79) EDNRAEDNRBAGTR1
SCHEMBL8903408 0.76 EDNRA (0.81) EDNRAEDNRBAGTR1
SCHEMBL7331230 0.76 EDNRA (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed