SCHEMBL8551764

SCHEMBL8551764

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OC)c(OC)c(OC)c23)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.53
EDNRA P25101 9/20 0.51
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CCR2 P41597 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 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
SCHEMBL8547313 0.94 EDNRB (0.53) EDNRBEDNRAPOLBKDM4ETP53
SCHEMBL8550571 0.94 EDNRB (0.49) EDNRBEDNRAPOLBKDM4E
SCHEMBL8551092 0.93 EDNRB (0.59) EDNRBEDNRAPOLB
SCHEMBL8548994 0.92 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8589486 0.90 EDNRB (0.53) EDNRBEDNRACCR2
SCHEMBL8551766 0.90 EDNRB (0.43) EDNRBEDNRAPOLBKDM4ESMN1; SMN2
SCHEMBL8547579 0.88 EDNRB (0.64) EDNRBEDNRASMN1; SMN2
SCHEMBL8548406 0.87 EDNRB (0.54) EDNRBEDNRAPOLBTP53
SCHEMBL8548034 0.86 EDNRB (0.49) EDNRBEDNRA
SCHEMBL8547982 0.86 EDNRB (0.60) EDNRBEDNRA

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