SCHEMBL8553793

SCHEMBL8553793

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3cc(OCc4ccccc4)ccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.70
EDNRA P25101 9/20 0.57
MAPT P10636 1/20 0.44
TP53 P04637 3/20 0.44
POLB P06746 1/20 0.43
PLA2G2A P14555 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL8551430 0.93 EDNRB (0.80) EDNRBEDNRAPLA2G2APPARG
SCHEMBL8620815 0.92 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8551759 0.92 EDNRB (0.62) EDNRBEDNRATP53
SCHEMBL8548527 0.91 EDNRB (0.73) EDNRBEDNRAMAPTTP53POLB
SCHEMBL8551612 0.90 EDNRB (0.58) EDNRBEDNRATP53
SCHEMBL8617489 0.90 EDNRB (0.57) EDNRBEDNRAMAPT
SCHEMBL8551276 0.90 EDNRB (0.61) EDNRBEDNRATP53
SCHEMBL8547214 0.90 EDNRB (0.56) EDNRBEDNRAMAPTTP53POLB
SCHEMBL8551023 0.90 EDNRB (0.67) EDNRBEDNRATP53
SCHEMBL8546989 0.89 EDNRB (0.87) EDNRBEDNRAMAPTTP53POLB

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