SCHEMBL8626049

SCHEMBL8626049

CCOC(=O)C1C(c2ccc3c(c2)OCO3)c2ccccc2C1c1ccccc1OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 0.59
EDNRB P24530 13/20 0.59
FABP7 O15540 2/20 0.46
FABP3 P05413 2/20 0.46
FABP5 Q01469 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43

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
SCHEMBL8622189 0.92 EDNRB (0.61) EDNRAEDNRBKMT2AALDH1A1
SCHEMBL8683767 0.92 EDNRB (0.61) EDNRAEDNRBKMT2AALDH1A1
SCHEMBL7810966 0.89 EDNRB (0.75) EDNRAEDNRB
SCHEMBL8622982 0.88 EDNRB (0.64) EDNRAEDNRBKMT2AALDH1A1
SCHEMBL8624302 0.88 EDNRB (0.58) EDNRAEDNRBKMT2AALDH1A1
SCHEMBL8622188 0.87 EDNRB (0.63) EDNRAEDNRBCTNNB1WNT3A
SCHEMBL7943703 0.86 EDNRB (0.78) EDNRAEDNRBFABP7FABP3FABP5
SCHEMBL8186694 0.80 EDNRB (0.46) EDNRAEDNRB
SCHEMBL4586030 0.76 EDNRA (0.70) EDNRAEDNRB
SCHEMBL8176345 0.75 SCD5 (0.45) EDNRAEDNRBFABP7FABP3FABP5

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
US-5817693-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 1998-10-06 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed