SCHEMBL9494476

SCHEMBL9494476

CCCOC(CC)C(C)OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
TSHR P16473 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30
ADRA1A P35348 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9494957 0.85 LMNA (0.38) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL9493879 0.82 LMNA (0.39) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL29728540 0.82 LMNA (0.42) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL2124344 0.77 CA1 (0.35) HSD17B10EPHX1
SCHEMBL11806002 0.76 LMNA (0.41) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL9004287 0.75 LMNA (0.35) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL28677528 0.73 ALDH1A1 (0.44) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL29728562 0.73 ALOX15 (0.43) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL27420072 0.72 TSHR (0.38) TSHRCHRM2CHRM4CHRM1MAPT
SCHEMBL27420071 0.72 TSHR (0.38) TSHRCHRM2CHRM4CHRM1MAPT

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-5179223-A Reacting primary amine, urea and oxime UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-01-12 US disclosed