SCHEMBL8798232

SCHEMBL8798232

COc1ccc(-c2c(OC(=O)O)c(=O)n(Cc3cccc(OC)c3OC)c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.52
SERPINE1 P05121 2/20 0.46
F2RL3 Q96RI0 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL8580666 0.90 EDNRB (0.63) EDNRBSERPINE1
SCHEMBL8798447 0.87 EDNRB (0.53) EDNRB
SCHEMBL8798914 0.85 EDNRB (0.53) EDNRBMEN1KMT2A
SCHEMBL8578797 0.76 EDNRB (0.67) EDNRB
SCHEMBL8575986 0.75 EDNRB (0.65) EDNRB
SCHEMBL8798383 0.75 EDNRB (0.77) EDNRBMEN1KMT2A
SCHEMBL8798379 0.70 EDNRB (0.81) EDNRB
SCHEMBL8553066 0.69 EDNRB (0.43) EDNRBMEN1KMT2A
SCHEMBL8798255 0.69 EDNRB (0.79) EDNRB
SCHEMBL8804652 0.68 EDNRB (1.00) EDNRB

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
EP-0811001-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-10 EP claimed