Sugi Predict

Sugi Predict / Compounds / SCHEMBL7330276

SCHEMBL7330276

SCHEMBL7330276

CCCc1cc(N)ccc1OC(C(=O)O)c1ccc2c(c1)OCO2.CCCc1cc(NS(C)(=O)=O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 14/20 0.70
▸ EDNRB P24530 12/20 0.70
▸ AGTR1 P30556 3/20 0.56
▸ AGTR2 P50052 1/20 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
SCHEMBL8905309 0.93 EDNRA (0.78) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7332470 0.85 EDNRA (0.76) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7336213 0.85 EDNRA (0.57) EDNRAEDNRBAGTR1
SCHEMBL7364071 0.84 EDNRA (0.76) EDNRAEDNRBAGTR1AGTR2
SCHEMBL8903408 0.84 EDNRA (0.81) EDNRAEDNRBAGTR1AGTR2
L-754142 SCHEMBL29551244 0.83 EDNRA (1.00) EDNRAEDNRBAGTR1AGTR2
L-754142 SCHEMBL4193035 0.83 EDNRA (1.00) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7335585 0.83 EDNRA (0.74) EDNRAEDNRBAGTR1AGTR2
L-754142 SCHEMBL7722258 0.82 EDNRA (0.98) EDNRAEDNRBAGTR1AGTR2
SCHEMBL7335274 0.82 EDNRA (0.78) EDNRAEDNRBAGTR1AGTR2

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