SCHEMBL7809551

SCHEMBL7809551

O=C(O)OC1C(c2ccc3c(c2)OCO3)c2ccc(O)cc2C1c1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.63
EDNRB P24530 14/20 0.63
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7817358 0.92 EDNRA (0.78) EDNRAEDNRB
SCHEMBL8204303 0.84 EDNRB (0.81) EDNRAEDNRBMAPTMEN1ALDH1A1
SCHEMBL7817417 0.83 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7804297 0.79 EDNRA (0.76) EDNRAEDNRBMAPT
SCHEMBL7561279 0.78 EDNRB (1.00) EDNRAEDNRB
SCHEMBL8209842 0.78 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7561284 0.78 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7561291 0.78 EDNRB (1.00) EDNRAEDNRB
SCHEMBL8202974 0.76 EDNRB (0.78) EDNRAEDNRB
SCHEMBL8620446 0.75 EDNRB (0.68) 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