Ethyl Acetate

Ethyl Acetate

SCHEMBL2913872

CCOC(C)=O.COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.59
CYP3A4 P08684 3/20 0.38
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
BRD4 O60885 4/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
EP300 Q09472 1/20 0.30

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
Alcohol SCHEMBL2909873 0.92 CRBN (0.64) CRBNCYP3A4MMP2MMP13IKBKB
Methyl Alcohol SCHEMBL2913736 0.92 CRBN (0.67) CRBNCYP3A4IKBKBCHUKBRD4
SCHEMBL2913931 0.92 CRBN (0.69) CRBNCYP3A4IKBKBCHUKBRD4
Propanol SCHEMBL2911013 0.91 CRBN (0.62) CRBNCYP3A4MMP2MMP13IKBKB
Water SCHEMBL2915433 0.91 CRBN (0.68) CRBNCYP3A4IKBKBCHUKBRD4
Isopropyl Alcohol SCHEMBL2910113 0.89 CRBN (0.64) CRBNCYP3A4IKBKBCHUKBRD4
Acetonitrile SCHEMBL2915375 0.88 CRBN (0.64) CRBNCYP3A4IKBKBCHUKBRD4
SCHEMBL2915430 0.88 CRBN (0.57) CRBNCYP3A4MMP2MMP13IKBKB
SCHEMBL2913565 0.87 CRBN (0.58) CRBNCYP3A4IKBKBCHUKBRD4
SCHEMBL2324103 0.86 CRBN (0.57) CRBNCYP3A4IKBKBCHUKBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP claimed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP claimed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO claimed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO claimed