SCHEMBL9689353

SCHEMBL9689353

CNC(=O)OC(=O)/C=C/C(=O)OC(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNA7 P36544 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28096503 0.79
SCHEMBL11786076 0.78
SCHEMBL11145930 0.71
SCHEMBL16257486 0.71 NFE2L2 (0.81) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL28089860 0.71 NFE2L2 (0.81) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL2693452 0.71 NFE2L2 (0.81) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL101667 0.71
SCHEMBL14282529 0.71 NFE2L2 (0.81) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL28308541 0.71 NFE2L2 (0.81) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL20352663 0.70

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-0484573-A1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-13 EP disclosed