Benzoic Acid Vinyl Ester

Benzoic Acid Vinyl Ester

SCHEMBL4628868

C=COC(=O)Cc1ccccc1.C=COC(=O)c1ccccc1.C=COC(C)=O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PAM P19021 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
AKR1B1 P15121 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
Benzoic Acid Vinyl Ester SCHEMBL8400814 0.93 KMT2A (0.46) TSHRL3MBTL1KMT2AALDH1A1TDP1
Benzoic Acid Vinyl Ester SCHEMBL6550693 0.87 TSHR (0.48) TSHRL3MBTL1KMT2AALDH1A1TDP1
Methyl Alcohol SCHEMBL4364856 0.83 TSHR (0.53) TSHRL3MBTL1KMT2AALDH1A1MAPK1
SCHEMBL163579 0.83 ALDH1A1 (0.55) TSHRL3MBTL1KMT2AALDH1A1MAPK1
Methacrylic Acid SCHEMBL27605772 0.81 TSHR (0.47) TSHRL3MBTL1KMT2AALDH1A1MAPK1
Phenylacetic Acid SCHEMBL27442533 0.81 AKR1B1 (0.59) TSHRL3MBTL1ALDH1A1MAPK1PAM
Benzoic Acid Vinyl Ester SCHEMBL2594239 0.80 TSHR (0.52) TSHRL3MBTL1KMT2AALDH1A1TDP1
Benzoic Acid Vinyl Ester SCHEMBL27487096 0.80 TSHR (0.52) TSHRL3MBTL1KMT2AALDH1A1TDP1
SCHEMBL7095246 0.80 TSHR (0.46) TSHRL3MBTL1KMT2AALDH1A1MAPK1
Benzoic Acid Vinyl Ester SCHEMBL3741502 0.79 LMNA (0.46) TSHRL3MBTL1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569973-A4 MICROGEL COMPOSITION AND PROCESS FOR PREPARATION THEREOF UNIV MELBOURNE (AU) 2008-05-07 EP disclosed
EP-1569973-A1 MICROGEL COMPOSITION AND PROCESS FOR PREPARATION THEREOF The University of Melbourne (AU) 2005-09-07 EP disclosed
WO-2004048428-A1 MICROGEL COMPOSITION AND PROCESS FOR PREPARATION THEREOF THE UNIVERSITY OF MELBOURNE (AU) 2004-06-10 WO disclosed