SCHEMBL8549337

SCHEMBL8549337

CCOC(=O)Oc1c(-c2ccc(CO)cc2)c2cc(N)ccc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.47
EDNRA P25101 3/20 0.42
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
PLA2G2A P14555 1/20 0.33
GRM2 Q14416 1/20 0.33
ELANE P08246 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
SHMT2 P34897 1/20 0.31
TNF P01375 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL8546234 0.92 EDNRB (0.57) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8548805 0.91 EDNRB (0.45) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8547872 0.90 EDNRB (0.48) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8552478 0.89 EDNRB (0.48) EDNRBEDNRAKDM4EHSD17B10PLA2G2A
SCHEMBL8547644 0.88 EDNRB (0.45) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8547813 0.87 EDNRB (0.64) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8549528 0.87 EDNRB (0.45) EDNRBEDNRAELANESMN1; SMN2MAPT
SCHEMBL8550954 0.86 EDNRB (0.46) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8547997 0.86 EDNRB (0.54) EDNRBEDNRAKDM4EHSD17B10GAA
SCHEMBL8547912 0.85 EDNRB (0.43) EDNRBEDNRAKDM4EGAAPLA2G2A

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