Urethane

Urethane

SCHEMBL4370098

C=C(C)COCC(COc1ccc(C(C)(C)c2ccc(OCC(COCC(=C)C)OC(=O)C(=C)C)cc2)cc1)OC(=O)C(=C)C.CCOC(N)=O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.47
PPARD Q03181 1/20 0.35
HTT P42858 3/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 6/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
USP2 O75604 1/20 0.32
PARP10 Q53GL7 1/20 0.32

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
Methacrylic Acid SCHEMBL4370099 0.83 AR (0.47) ARPPARDHTTHIF1AKDM4E
SCHEMBL13991656 0.80 AR (0.56) ARHTTHIF1AKDM4EKMT2A
SCHEMBL7907428 0.80 AR (0.44) ARPPARDHTTHIF1AKDM4E
SCHEMBL1791934 0.80 AR (0.62) ARHTTHIF1AKDM4EKMT2A
SCHEMBL13991657 0.80 AR (0.56) ARHTTHIF1AKDM4EKMT2A
SCHEMBL14174326 0.78 AR (0.51) ARPPARDHTTHIF1AKDM4E
SCHEMBL14174330 0.78 AR (0.51) ARPPARDHTTHIF1AKDM4E
Methacrylic Acid SCHEMBL4370104 0.78 CYP1A2 (0.46) ARHTTHIF1AKDM4EKMT2A
SCHEMBL13991653 0.77 AR (0.53) ARPPARDHTTHIF1AKDM4E
SCHEMBL24599334 0.77 AR (0.54) ARHTTHIF1AKDM4EKMT2A

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
US-20090301346-A1 DENTAL RESIN-BASED CEMENT COMPOSITION KABUSHIKI KAISHA SHOFU (JP) 2009-12-10 US disclosed