SCHEMBL28219613

SCHEMBL28219613

C=C(CC(=O)ONC(=O)OCC)C(=O)ONC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NLRP3 Q96P20 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
THRB P10828 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
KMT2A Q03164 1/20 0.30
SOAT1 P35610 1/20 0.30
MAPT P10636 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
SCHEMBL28164018 0.85 ALDH1A1 (0.37) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10795292 0.84 ALDH1A1 (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7249698 0.82 ALDH1A1 (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1138886 0.81 GAA (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20815 0.79 THRB (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27727120 0.79 ALOX15 (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28623879 0.79 ALDH1A1 (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14976946 0.79 ALDH1A1 (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2476700 0.79 ALDH1A1 (0.33) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28960988 0.78 CYP1A2 (0.33) 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
CN-108137779-A Biuret polyisocyanate compositions 温科莱斯法国公司 2018-06-08 CN disclosed