SCHEMBL9493422

SCHEMBL9493422

CCCC(C)(OC)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
ADRA1A P35348 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
FDPS P14324 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
SCHEMBL9493223 0.83 ALOX15 (0.37) LMNAHSD17B10TSHRTDP1ALOX15
SCHEMBL4435639 0.81 GAA (0.45) LMNAHSD17B10ALDH1A1GAA
SCHEMBL28889809 0.77 LMNA (0.44) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL27907896 0.76 LMNA (0.52) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL224525 0.76 LMNA (0.52) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL9446509 0.75 ALOX15 (0.42) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL868219 0.74
SCHEMBL30718877 0.73 LMNA (0.46) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL30552233 0.73 LMNA (0.48) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL28870458 0.72 LMNA (0.48) LMNAHSD17B10TSHRCYP3A4NFKB1

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