SCHEMBL8549318

SCHEMBL8549318

CCOC(=O)Oc1c(-c2ccc(OC)cc2OCC(=O)O)c2cc(OC)c(OCc3ccccc3)cc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.43
EDNRA P25101 6/20 0.43
PTPN1 P18031 2/20 0.36
CSF1R P07333 2/20 0.35
FFAR1 O14842 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PLK1 P53350 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL8547930 0.95 EDNRB (0.47) EDNRBEDNRAPTPN1KDM4EMAPT
SCHEMBL8548858 0.93 EDNRB (0.45) EDNRBEDNRAPTPN1CSF1RFFAR1
SCHEMBL8551472 0.92 EDNRB (0.43) EDNRBEDNRAPTPN1FFAR1PDCD1
SCHEMBL8547163 0.91 EDNRB (0.45) EDNRBEDNRAPTPN1KDM4E
SCHEMBL8547478 0.90 EDNRB (0.43) EDNRBEDNRAPTPN1KDM4EMAPT
SCHEMBL8549574 0.88 EDNRB (0.43) EDNRBEDNRAPTPN1KDM4EHTT
SCHEMBL8548607 0.88 EDNRB (0.45) EDNRBEDNRAPDCD1CD274KDM4E
SCHEMBL8551476 0.88 EDNRB (0.48) EDNRBEDNRACSF1RPLK1KDM4E
SCHEMBL8549234 0.87 EDNRB (0.52) EDNRBEDNRAPTPN1KDM4EMAPT
SCHEMBL8547864 0.87 EDNRB (0.49) EDNRBEDNRAPTPN1MAPT

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