Urethane

Urethane

SCHEMBL27560816

C=CC(=O)O.CCC(O)(O)c1ccccc1.CCOC(N)=O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPK1 P28482 1/20 0.36
PIN1 Q13526 1/20 0.36
PPID Q08752 1/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 SCHEMBL27979330 0.91 ALOX15 (0.50) SMN1; SMN2ALOX15POLBKMT2AMEN1
Urethane SCHEMBL27513771 0.91 SMN1; SMN2 (0.36) SMN1; SMN2ALOX15POLBHTTKMT2A
Acrylic Acid SCHEMBL27648043 0.87 ALDH1A1 (0.44) SMN1; SMN2POLBHTTKMT2AMEN1
Acrylic Acid SCHEMBL27520566 0.87 ALDH1A1 (0.44) SMN1; SMN2POLBHTTKMT2AMEN1
Phenol SCHEMBL11124194 0.81 ALOX15 (0.48) SMN1; SMN2ALOX15KMT2AMEN1ALDH1A1
Methacrylic Acid SCHEMBL27882233 0.80 ALDH1A1 (0.39) SMN1; SMN2ALOX15POLBHTTKMT2A
Styrene SCHEMBL7214028 0.80 MEN1 (0.49) SMN1; SMN2ALOX15KMT2AMEN1ALDH1A1
Biphenyl SCHEMBL10948129 0.78 ALOX15 (0.46) SMN1; SMN2ALOX15HTTKMT2AMEN1
Carbamic Acid SCHEMBL27710991 0.78 MAPT (0.50) HTTKMT2AMAPTCHRM2CHRM4
Urethane SCHEMBL23827903 0.78 ALOX15 (0.68) ALOX15ALDH1A1CHRM2CHRM4CHRM1

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-1303422-A Radiation curable adhesive for digital versatile discs DSM NV (NL) 2001-07-11 CN disclosed