SCHEMBL28211469

SCHEMBL28211469

CC(Cl)c1ccoc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
ACLY P53396 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
GRM1 Q13255 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL11253382 0.83 KMT2A (0.43) KMT2ATDP1L3MBTL1MEN1ESR1
SCHEMBL31619090 0.80 KMT2A (0.41) KMT2AACLYTDP1L3MBTL1MEN1
SCHEMBL504737 0.78 KMT2A (0.40) KMT2AACLYTDP1L3MBTL1MEN1
SCHEMBL12611006 0.77 KMT2A (0.44) KMT2AACLYTDP1L3MBTL1ESR1
Acrylic Acid SCHEMBL10706068 0.76 KMT2A (0.38) KMT2ATDP1L3MBTL1MEN1ESR1
SCHEMBL28971471 0.76 KMT2A (0.38) KMT2AACLYTDP1L3MBTL1MEN1
SCHEMBL11040697 0.74 TDP1 (0.41) KMT2AACLYTDP1L3MBTL1MEN1
SCHEMBL29219976 0.74 KMT2A (0.46) KMT2ATDP1L3MBTL1MEN1POLB
SCHEMBL11041077 0.73 KMT2A (0.50) KMT2AACLYTDP1L3MBTL1MEN1
SCHEMBL27624300 0.72 MAPT (0.39) KMT2AMEN1MAPT

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
CN-107879935-A Method for synthesizing vinyl carboxylate 王建华 2018-04-06 CN disclosed