SCHEMBL8551472

SCHEMBL8551472

CCOC(=O)Oc1c(-c2ccc(OC)cc2OCC(=O)O)c2ccc(OCc3ccccc3)cc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.43
DYRK1A Q13627 1/20 0.38
FFAR1 O14842 3/20 0.37
PLA2G2A P14555 3/20 0.37
PTPN1 P18031 2/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
EDNRA P25101 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARD Q03181 2/20 0.36
TP53 P04637 1/20 0.35
PLA2G10 O15496 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL8548607 0.94 EDNRB (0.45) EDNRBDYRK1APLA2G2APDCD1CD274
SCHEMBL8547859 0.92 EDNRB (0.44) EDNRBDYRK1AFFAR1PLA2G2APTPN1
SCHEMBL8549318 0.92 EDNRB (0.43) EDNRBFFAR1PTPN1PDCD1CD274
SCHEMBL8547930 0.89 EDNRB (0.47) EDNRBPTPN1EDNRAKDM4EGAA
SCHEMBL8549234 0.88 EDNRB (0.52) EDNRBPLA2G2APTPN1EDNRAKDM4E
SCHEMBL8547217 0.86 EDNRB (0.46) EDNRBDYRK1APLA2G2APDCD1CD274
SCHEMBL8546037 0.86 EDNRB (0.60) EDNRBPLA2G2APTPN1EDNRAKDM4E
SCHEMBL8551108 0.85 EDNRB (0.50) EDNRBDYRK1APLA2G2AEDNRAPPARD
SCHEMBL8547478 0.85 EDNRB (0.43) EDNRBPTPN1EDNRAKDM4EGAA
SCHEMBL8548858 0.84 EDNRB (0.45) EDNRBFFAR1PTPN1EDNRAKDM4E

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