Urethane

Urethane

SCHEMBL8999851

CC(=O)CC(=O)OCC(CO)(COC(=O)CC(C)=O)COC(=O)CC(C)=O.CCOC(N)=O

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
GAA P10253 3/20 0.39
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
Urethane SCHEMBL8999861 0.94 ALOX15 (0.46) ALOX15GAAMGAMSIMGAM2
SCHEMBL649818 0.86 MGAM (0.46) GAAMGAMSIMGAM2KDM4E
SCHEMBL16411252 0.82 MGAM (0.46) GAAMGAMSIMGAM2KDM4E
SCHEMBL9571839 0.82 MGAM (0.46) GAAMGAMSIMGAM2KDM4E
SCHEMBL17746184 0.81 MGAM (0.41) GAAMGAMSIMGAM2KDM4E
SCHEMBL7708371 0.81 MGAM (0.41) GAAMGAMSIMGAM2KDM4E
SCHEMBL8999875 0.81 MGAM (0.41) GAAMGAMSIMGAM2KDM4E
Acetoacetic Acid SCHEMBL8999855 0.80 ALOX15 (0.52) ALOX15GAAMGAMSIMGAM2
SCHEMBL2703174 0.80 MGAM (0.40) GAAMGAMSIMGAM2KDM4E
SCHEMBL17746181 0.80 MGAM (0.40) GAAMGAMSIMGAM2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5567761-A BLEND OF ACETOACETYLATED POLYMER AND A POLYACRYLATE; GLOSS, HARDNESS GUERTIN BROS. COATINGS AND SEALANTS LTD. (CA) 1996-10-22 US disclosed
WO-1995016749-A1 AQUEOUS TWO-PART ISOCYANATE-FREE CURABLE, POLYURETHANE RESIN SYSTEMS GUERTIN BROS. COATINGS AND SEALANTS LTD. (CA) 1995-06-22 WO disclosed