SCHEMBL9523976

SCHEMBL9523976

COC(=O)C(F)(c1ccccc1)c1nc(OC)cc(OC)n1.[Li]CCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.42
EDNRA P25101 11/20 0.42
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNN4 O15554 1/20 0.37
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
CTSA P10619 1/20 0.35
PTGDR Q13258 1/20 0.35
PLA2G2A P14555 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
SCHEMBL8975735 0.88 EDNRB (0.47) EDNRBEDNRAKMT2AKCNN4TP53
SCHEMBL8975656 0.78 EDNRB (0.49) EDNRBEDNRAKMT2AMAPT
SCHEMBL8871463 0.72 EDNRB (0.51) EDNRBEDNRAKMT2AKCNN4TP53
SCHEMBL8873369 0.71 EDNRB (0.49) EDNRBEDNRAMEN1OPRM1OPRD1
SCHEMBL8975814 0.71 EDNRB (0.47) EDNRBEDNRAMEN1OPRM1OPRD1
SCHEMBL27972948 0.70 KCNN4 (0.64) MEN1OPRM1OPRD1KMT2AKCNN4
SCHEMBL8872002 0.68 EDNRB (0.44) EDNRBEDNRAMEN1OPRM1OPRD1
SCHEMBL4002098 0.65 KCNN4 (0.56) MEN1OPRM1OPRD1KMT2AKCNN4
SCHEMBL8976238 0.65 ALDH1A1 (0.38) EDNRBEDNRAMAPT
SCHEMBL12095209 0.65 EDNRB (0.52) EDNRBEDNRAKCNN4

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-0575404-A1 HERBICIDES AgrEvo UK Limited (GB) 1993-12-29 EP disclosed
WO-1992016511-A1 HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-10-01 WO disclosed