SCHEMBL8871463

SCHEMBL8871463

COC(=O)C(O)(c1ccccc1)c1nc(OC)cc(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.51
EDNRA P25101 13/20 0.51
KCNN4 O15554 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CYP1A2 P05177 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL8871440 0.81 EDNRB (0.45) EDNRBEDNRAKDM4EALDH1A1MAPT
SCHEMBL8975814 0.81 EDNRB (0.47) EDNRBEDNRAKCNN4KDM4EALDH1A1
SCHEMBL8873369 0.81 EDNRB (0.49) EDNRBEDNRAKCNN4KDM4EALDH1A1
SCHEMBL8975735 0.81 EDNRB (0.47) EDNRBEDNRAKCNN4KDM4EALDH1A1
SCHEMBL1870824 0.79 KCNN4 (0.67) KCNN4ALDH1A1MAPTKMT2AGAA
SCHEMBL8872002 0.78 EDNRB (0.44) EDNRBEDNRAKCNN4KDM4EALDH1A1
SCHEMBL8975656 0.75 EDNRB (0.49) EDNRBEDNRAKDM4EALDH1A1MAPT
SCHEMBL12095209 0.74 EDNRB (0.52) EDNRBEDNRAKCNN4
SCHEMBL8872070 0.73 EDNRB (0.48) EDNRBEDNRAKDM4EALDH1A1MAPT
SCHEMBL3183433 0.72 HTT (0.54) KCNN4ALDH1A1MAPTKMT2AGAA

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-5604181-A Pyrimidine derivatives herbicides AGREVO UK LIMITED (GB) 1997-02-18 US disclosed