SCHEMBL8552337

SCHEMBL8552337

COc1ccc(Cn2c(C(=O)O)c(-c3ccc4nsnc4c3)c3cc(OC)c(OC4CCCC4)cc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.64
EDNRA P25101 11/20 0.64
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.42
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 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
SCHEMBL8550950 0.91 EDNRB (0.58) EDNRBEDNRATP53PDE4BPDE4D
SCHEMBL8551387 0.89 EDNRB (0.66) EDNRBEDNRATP53PDE4BPDE4D
SCHEMBL8552343 0.89 EDNRB (0.51) EDNRBEDNRAPOLBMAPTTP53
SCHEMBL8550885 0.86 EDNRB (0.74) EDNRBEDNRAMAPTTP53
SCHEMBL8547597 0.85 EDNRB (0.47) EDNRBEDNRAPDE4BPDE4DPDE4A
SCHEMBL8547921 0.85 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8548216 0.81 EDNRB (0.65) EDNRBEDNRATP53
SCHEMBL8552837 0.81 EDNRB (0.67) EDNRBEDNRAPOLBMAPTTP53
SCHEMBL8550952 0.81 EDNRB (0.46) EDNRBEDNRAPDE4BPDE4DPDE4A
SCHEMBL8550951 0.80 EDNRB (0.81) EDNRBEDNRAPOLBTP53

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