SCHEMBL30757307

SCHEMBL30757307

CCOCc1cc(CO)ccc1-c1ccccc1S(=O)(=O)N(COC)c1onc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.44
AGTR1 P30556 3/20 0.39
EDNRB P24530 1/20 0.36

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
SCHEMBL26688742 1.00 EDNRA (0.44) EDNRAAGTR1EDNRB
SCHEMBL26688907 0.92 EDNRA (0.42) EDNRAAGTR1EDNRB
SCHEMBL31366164 0.92 EDNRA (0.42) EDNRAAGTR1EDNRB
SCHEMBL30757434 0.92 EDNRA (0.42) EDNRAAGTR1EDNRB
SCHEMBL5530883 0.90 EDNRA (0.42) EDNRAAGTR1EDNRB
SCHEMBL26688926 0.90 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL30757402 0.90 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL5530885 0.90 EDNRA (0.41) EDNRAEDNRB
SCHEMBL4772899 0.88 EDNRA (0.42) EDNRAAGTR1EDNRB
SCHEMBL535104 0.87 EDNRA (0.43) EDNRAAGTR1EDNRB

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-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed