SCHEMBL7804297

SCHEMBL7804297

COc1ccc(C2c3ccccc3C(c3ccc4c(c3)OCO4)C2OC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.76
EDNRB P24530 16/20 0.76
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7817417 0.92 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7817358 0.89 EDNRA (0.78) EDNRAEDNRB
SCHEMBL6452207 0.86 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7538026 0.86 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6452202 0.86 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7942493 0.83 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7810966 0.80 EDNRB (0.75) EDNRAEDNRB
SCHEMBL8202426 0.80 EDNRA (0.87) EDNRAEDNRB
SCHEMBL7809551 0.79 EDNRA (0.63) EDNRAEDNRBMAPT
SCHEMBL8202186 0.79 EDNRB (0.86) EDNRAEDNRB

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
EP-0612244-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-09-19 EP claimed