SCHEMBL8553569

SCHEMBL8553569

CCCCN(c1ccc2c(c1)c(-c1ccc(OC)cc1)c(OC(=O)O)n2Cc1ccc2nsnc2c1)S(=O)(=O)CCCC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.54
EDNRA P25101 4/20 0.42
BMP1 P13497 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
PPARG P37231 3/20 0.32
KMT2A Q03164 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
SCHEMBL8547944 0.93 EDNRB (0.44) EDNRBEDNRA
SCHEMBL8548125 0.93 EDNRB (0.45) EDNRBEDNRAPOLBKMT2A
SCHEMBL8551085 0.91 EDNRB (0.45) EDNRBEDNRABMP1POLBMAPT
SCHEMBL8548902 0.91 EDNRB (0.43) EDNRBEDNRA
SCHEMBL8553567 0.90 EDNRB (0.67) EDNRBEDNRAPPARGKMT2A
SCHEMBL8550380 0.89 EDNRB (0.41) EDNRBEDNRAKEAP1NFE2L2
SCHEMBL8551995 0.88 EDNRB (0.41) EDNRBEDNRA
SCHEMBL8591727 0.87 EDNRB (0.56) EDNRBEDNRAPOLBMAPTPPARG
SCHEMBL8551968 0.87 EDNRB (0.55) EDNRBEDNRAPOLBMAPTPPARG
SCHEMBL8546601 0.87 EDNRB (0.51) EDNRBEDNRAMAPT

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