SCHEMBL30757333

SCHEMBL30757333

CCOCc1cc(C=O)ccc1-c1ccccc1S(=O)(=O)N(COCCOC)c1noc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.37
AGTR1 P30556 1/20 0.37
EDNRB P24530 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5529587 1.00 EDNRA (0.37) EDNRAAGTR1EDNRBALDH1A1
SCHEMBL30757382 0.94 EDNRA (0.38) EDNRAAGTR1EDNRBALDH1A1
SCHEMBL26688891 0.94 EDNRA (0.38) EDNRAAGTR1EDNRBALDH1A1
SCHEMBL5536611 0.92 EDNRA (0.34) EDNRAAGTR1EDNRB
SCHEMBL15728330 0.92 EDNRA (0.38) EDNRAAGTR1EDNRB
SCHEMBL30171050 0.89 EDNRA (0.36) EDNRAAGTR1EDNRB
SCHEMBL5531210 0.88 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL30171097 0.88 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL30171054 0.88 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL5523918 0.88 EDNRA (0.41) 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