SCHEMBL18653146

SCHEMBL18653146

CCOC(=O)NSC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
CYP2D6 P10635 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
HCAR2 Q8TDS4 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
SCHEMBL28550364 0.86
SCHEMBL6264869 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1281598 0.76
SCHEMBL18248473 0.74
SCHEMBL10956276 0.71 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL697911 0.70
SCHEMBL9999100 0.70 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28753789 0.70
SCHEMBL7713280 0.69 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL355253 0.69 GAA (0.55) 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
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed