Urethane

Urethane

SCHEMBL27979330

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 3/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
PIN1 Q13526 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
PPID Q08752 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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 SCHEMBL27560816 0.91 SMN1; SMN2 (0.42) ALOX15SMN1; SMN2POLBKMT2AMEN1
Carbamic Acid SCHEMBL27710991 0.86 MAPT (0.50) KMT2AMAPTCYP1A2CYP2D6LMNA
Urethane SCHEMBL3680047 0.84 ALOX15 (0.56) ALOX15SMN1; SMN2POLBKMT2AMEN1
Bicarbonate SCHEMBL27382464 0.82 CYP2C19 (0.47) POLBKMT2AMEN1ALDH1A1MAPT
Benzene SCHEMBL27461053 0.82 CYP2C19 (0.47) POLBKMT2AMEN1ALDH1A1MAPT
Acetone SCHEMBL27334452 0.80 CYP2C19 (0.45) POLBKMT2AMEN1ALDH1A1MAPT
Methylamine SCHEMBL28786765 0.80 TAAR1 (0.43) ALOX15SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL536039 0.80 CYP2C19 (0.44) ALOX15SMN1; SMN2KMT2AMEN1ALDH1A1
Benzene SCHEMBL27889448 0.80 CYP2C19 (0.44) ALOX15SMN1; SMN2KMT2AMEN1ALDH1A1
Hydrogen Peroxide SCHEMBL27765153 0.80 CYP2C19 (0.44) ALOX15SMN1; SMN2KMT2AMEN1ALDH1A1

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
CN-104046222-A Corrosion-resistant paint for safety air bag ducts ZHANGJIAGANG HUAZUNBAO SPECIAL MATERIAL TECHNOLOGY CO LTD 2014-09-17 CN claimed
CN-104046222-A Corrosion-resistant paint for safety air bag ducts ZHANGJIAGANG HUAZUNBAO SPECIAL MATERIAL TECHNOLOGY CO LTD 2014-09-17 CN disclosed