SCHEMBL8843547

SCHEMBL8843547

C=CCOCCCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 7/20 0.48
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA9 Q16790 7/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
EPHX1 P07099 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
HTT P42858 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL27317790 0.95 TDP1 (0.55) TDP1MEN1GAAKMT2ACA12
SCHEMBL13114987 0.90 TDP1 (0.47) TDP1MEN1GAAKMT2ACA12
SCHEMBL29720151 0.88 TDP1 (0.48) TDP1MEN1GAAKMT2ACA12
SCHEMBL23728637 0.88 ADRB2 (0.47) TDP1MEN1GAAKMT2ACA12
SCHEMBL30980669 0.88 ADRB2 (0.47) TDP1MEN1GAAKMT2ACA12
SCHEMBL21106804 0.88 ADRB2 (0.47) TDP1MEN1GAAKMT2ACA12
SCHEMBL21065333 0.83 TDP1 (0.62) TDP1MEN1GAAKMT2ACA12
SCHEMBL13826275 0.83 TDP1 (0.51) TDP1MEN1GAAKMT2ACA12
SCHEMBL23085334 0.83 TDP1 (0.46) TDP1MEN1GAAKMT2ACA12
SCHEMBL1276827 0.83 TDP1 (0.54) TDP1MEN1GAAKMT2ACA12

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-5621062-A Ambient rapid-curing amino and epoxide polythioether reactants compositions NORTHROP GRUMMAN CORPORATION (US) 1997-04-15 US disclosed