SCHEMBL8551949

SCHEMBL8551949

COc1ccc(-c2c(OC(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OC(C)C)c(OC)cc23)cc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.54
EDNRA P25101 5/20 0.54
GAA P10253 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
THRB P10828 1/20 0.36
GRK2 P25098 1/20 0.36
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
PIK3CD O00329 1/20 0.33
MDM2 Q00987 1/20 0.33
GRM2 Q14416 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL8547974 0.94 EDNRB (0.59) EDNRBEDNRAGRK2GRM2
SCHEMBL8549019 0.91 EDNRB (0.49) EDNRBEDNRAGAAMAPK1MEN1
SCHEMBL8552838 0.91 EDNRB (0.53) EDNRBEDNRAGAAMAPK1MEN1
SCHEMBL8551943 0.89 EDNRB (0.68) EDNRBEDNRAGAAMAPK1MEN1
SCHEMBL8552955 0.88 EDNRB (0.52) EDNRBEDNRAMAPK1MEN1KMT2A
SCHEMBL8551781 0.87 EDNRB (0.52) EDNRBEDNRAGRK2GRM2
SCHEMBL8551390 0.87 EDNRB (0.53) EDNRBEDNRALMNA
SCHEMBL8547840 0.86 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8548007 0.86 EDNRB (0.58) EDNRBEDNRA
SCHEMBL8548507 0.85 EDNRB (0.54) EDNRBEDNRAGAASMN1; SMN2GRK2

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
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed