SCHEMBL8546146

SCHEMBL8546146

CCCOc1ccc2c(c1)c(-c1ccccc1)c(C(=O)OCC)n2Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.58
EDNRA P25101 16/20 0.58
KMT2A Q03164 1/20 0.47

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
SCHEMBL8543571 0.92 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8543272 0.91 EDNRB (0.60) EDNRBEDNRAKMT2A
SCHEMBL8856544 0.88 EDNRB (0.60) EDNRBEDNRA
SCHEMBL8539775 0.88 LMNA (0.51) EDNRBEDNRAKMT2A
SCHEMBL8545376 0.87 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8590639 0.82 EDNRA (0.64) EDNRBEDNRA
SCHEMBL8616220 0.81 MAPT (0.51) EDNRBEDNRAKMT2A
SCHEMBL8540948 0.81 EDNRA (0.72) EDNRBEDNRA
SCHEMBL8857065 0.80 EDNRA (0.55) EDNRBEDNRA
SCHEMBL8546889 0.80 LMNA (0.51) EDNRBEDNRAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800389-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP disclosed
US-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US disclosed
EP-0800389-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP disclosed
WO-1996018393-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-20 WO disclosed