SCHEMBL8577231

SCHEMBL8577231

CCOc1ccc2c(c1)c(-c1ccc(OC)cc1)c(C(=O)OC)c(=O)n2Cc1cc(OC)ccc1OC

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.85
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G2A P14555 2/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL8578669 0.92 EDNRB (1.00) EDNRBMEN1KMT2A
SCHEMBL8798910 0.86 EDNRB (0.73) EDNRBTP53MAPTMEN1KMT2A
SCHEMBL8798383 0.85 EDNRB (0.77) EDNRBTP53MAPTMEN1KMT2A
SCHEMBL8578004 0.82 EDNRB (0.86) EDNRB
SCHEMBL8578633 0.81 EDNRB (0.73) EDNRBMAPTKMT2A
SCHEMBL795880 0.74 EDNRB (1.00) EDNRB
SCHEMBL8578754 0.74 EDNRB (0.83) EDNRB
SCHEMBL8578916 0.73 EDNRB (0.72) EDNRBTP53MAPTKMT2A
SCHEMBL6312676 0.72 EDNRB (0.80) EDNRB
SCHEMBL12044037 0.72 EDNRB (0.55) EDNRBMAPTMEN1KMT2APLA2G2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731321-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed