SCHEMBL8550833

SCHEMBL8550833

COc1cc2c(-c3ccc4c(c3)CCO4)c(OC(=O)O)n(Cc3ccc4nsnc4c3)c2cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.56
EDNRA P25101 12/20 0.56
CSF1R P07333 1/20 0.35
ERN1 O75460 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL8594151 0.94 EDNRB (0.63) EDNRBEDNRAERN1HCRTR1HCRTR2
SCHEMBL8548806 0.93 EDNRB (0.53) EDNRBEDNRAHCRTR1HCRTR2
SCHEMBL8550830 0.91 EDNRB (0.70) EDNRBEDNRA
SCHEMBL8550472 0.90 EDNRB (0.56) EDNRBEDNRAERN1HCRTR1HCRTR2
SCHEMBL8548007 0.89 EDNRB (0.58) EDNRBEDNRAERN1HCRTR1HCRTR2
SCHEMBL8547915 0.88 EDNRB (0.46) EDNRBEDNRASMN1; SMN2
SCHEMBL8547924 0.87 EDNRB (0.56) EDNRBEDNRAERN1HCRTR1HCRTR2
SCHEMBL8552955 0.86 EDNRB (0.52) EDNRBEDNRACSF1RERN1MEN1
SCHEMBL8551027 0.86 EDNRB (0.53) EDNRBEDNRACSF1R
SCHEMBL8552822 0.86 EDNRB (0.58) EDNRBEDNRAERN1KDM4ELMNA

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