SCHEMBL28840752

SCHEMBL28840752

CCOC(=O)C(=O)c1ccn(CCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.37
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TBXAS1 P24557 5/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
DRD2 P14416 1/20 0.31
MAPK1 P28482 1/20 0.31
CNR1 P21554 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
SCHEMBL22748851 0.80 DUT (0.40) DUTHTTMAPT
SCHEMBL28840683 0.78 HTT (0.39) HTTATML3MBTL1ALDH1A1MAPT
SCHEMBL23174829 0.75 DUT (0.43) DUT
SCHEMBL1995045 0.72 CYP19A1 (0.51) ALDH1A1MAPTCNR1
SCHEMBL22748850 0.71 DUT (0.42) DUTHTTALDH1A1MAPTCNR1
SCHEMBL15026119 0.69 TEAD2 (0.39) ALDH1A1MAPTMAPK1
SCHEMBL9752777 0.69 CA2 (0.43) DUTCA12CA1CA2CA9
SCHEMBL1995523 0.68 CYP19A1 (0.52) ALDH1A1CNR1
SCHEMBL13860366 0.68 L3MBTL1 (0.43) DUTHTTL3MBTL1ALDH1A1MAPT
SCHEMBL18149668 0.68 FOS (0.38) L3MBTL1TBXAS1ALDH1A1MAPTMAPK1

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-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed