SCHEMBL11096100

SCHEMBL11096100

CCOC(=O)CSC(C)=NO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 11/20 0.40
TRPA1 O75762 1/20 0.40
HSD17B10 Q99714 4/20 0.39
LMNA P02545 3/20 0.39
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL11097018 0.81 CYP1A2 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23775245 0.79 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11092006 0.79 MGAM (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11094317 0.76 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11098987 0.76 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL165143 0.75 ALDH1A1 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18113081 0.74 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18113273 0.74 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8414771 0.73 MGAM (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20204106 0.72 ALDH1A1 (0.50) GAAMGAMSIMGAM2ALDH1A1

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-4454134-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1984-06-12 US disclosed