Urethane

Urethane

SCHEMBL8999861

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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 SCHEMBL8999851 0.94 ALOX15 (0.48) ALOX15MGAMGAASIMGAM2
SCHEMBL8999875 0.89 MGAM (0.41) MGAMGAASIMGAM2KDM4E
SCHEMBL7708371 0.85 MGAM (0.41) MGAMGAASIMGAM2KDM4E
Acetoacetic Acid SCHEMBL8999865 0.81 ALOX15 (0.48) ALOX15MGAMGAASIMGAM2
Urethane SCHEMBL11888715 0.80 ALOX15 (0.65) ALOX15MGAMGAASIMGAM2
SCHEMBL651229 0.80 MGAM (0.46) MGAMGAASIMGAM2LMNA
SCHEMBL16411252 0.80 MGAM (0.46) MGAMGAASIMGAM2KDM4E
SCHEMBL22050939 0.80 MGAM (0.46) MGAMGAASIMGAM2LMNA
SCHEMBL649818 0.80 MGAM (0.46) MGAMGAASIMGAM2KDM4E
SCHEMBL9571839 0.80 MGAM (0.46) MGAMGAASIMGAM2KDM4E

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