Urethane

Urethane

SCHEMBL28707643

CCOC(N)=O.NCc1ccccc1CN

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.47
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL4618502 0.82 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP2D6
O-Xylene SCHEMBL10812881 0.82 ALOX15 (0.65) ALOX15TSHRALDH1A1HSD17B10SMN1; SMN2
Naphthalene SCHEMBL9435323 0.82 ALOX15 (0.65) ALOX15TSHRALDH1A1HSD17B10SMN1; SMN2
Urethane SCHEMBL6557515 0.82 ALOX15 (0.65) ALOX15TSHRALDH1A1HSD17B10SMN1; SMN2
Ethyl Benzoate SCHEMBL29016078 0.80 SMN1; SMN2 (0.56) TSHRALDH1A1HSD17B10SMN1; SMN2CYP1A2
Biphenyl SCHEMBL1400697 0.80 ALOX15 (0.62) ALOX15TSHRALDH1A1HSD17B10SMN1; SMN2
Catechol SCHEMBL28109933 0.80 ALOX15 (0.62) ALOX15TSHRALDH1A1HSD17B10SMN1; SMN2
Toluene SCHEMBL7177102 0.80 ALOX15 (0.62) ALOX15TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4842643 0.79 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1HSD17B10SMN1; SMN2
Urethane SCHEMBL2404606 0.79 ALOX15 (0.83) ALOX15TSHRALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315649-A Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-04-12 CN claimed
CN-114315649-B Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-05-24 CN disclosed
CN-114315649-B Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-05-24 CN disclosed
CN-114315649-A Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-04-12 CN disclosed
CN-114315649-A Method for purifying ethyl xylylene dicarbamate by melt crystallization 中国科学院过程工程研究所 2022-04-12 CN disclosed