SCHEMBL28627064

SCHEMBL28627064

CC(Cl)OC(=O)N(C)CC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ABCB1 P08183 2/20 0.42
SLC15A1 P46059 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CDC25B P30305 1/20 0.40
CACNA1H O95180 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL21995358 0.85 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL6897847 0.82 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL25252134 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL2221455 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL6900506 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL991059 0.80 CHRNB2 (0.57) ALDH1A1MAPK1HPGDCHRNB2CHRNB4
SCHEMBL2182699 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL23748824 0.79 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL21995355 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL7703626 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTHPGD

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-113366107-A Antibacterial antisense agents 佩达尼斯治疗有限公司 2021-09-07 CN disclosed