SCHEMBL8545164

SCHEMBL8545164

CCOC(=O)c1c(-c2cc(Cl)cc(Cl)c2)c2cc(OCc3ccc(OC(F)(F)F)cc3)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.51
EDNRA P25101 15/20 0.51
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2RL3 Q96RI0 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
SCHEMBL8546008 0.91 EDNRB (0.60) EDNRBEDNRA
SCHEMBL8545376 0.91 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8543272 0.86 EDNRB (0.60) EDNRBEDNRA
SCHEMBL8856544 0.86 EDNRB (0.60) EDNRBEDNRA
SCHEMBL8546889 0.84 LMNA (0.51) EDNRBEDNRALMNAMAPTHPGD
SCHEMBL8592047 0.80 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8546146 0.80 EDNRB (0.58) EDNRBEDNRA
SCHEMBL8616220 0.78 MAPT (0.51) EDNRBEDNRALMNAMAPTHPGD
SCHEMBL8856577 0.78 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8856873 0.77 EDNRA (0.65) EDNRBEDNRA

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