SCHEMBL24933577

SCHEMBL24933577

Bc1cc(C(=O)OCC)c(=O)[nH]c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 3/20 0.56
POLB P06746 3/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
KDM4E B2RXH2 9/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL22868087 0.83 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL5901932 0.81 GAA (0.68) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL1929282 0.78 CDK5 (0.51) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL5901921 0.77 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL24932982 0.76 HSD17B1 (0.36)
SCHEMBL3599399 0.76 MAPT (0.55) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL6375741 0.72 L3MBTL1 (0.53) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL1929467 0.72 TSHR (0.46) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL9671945 0.72 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL8832434 0.71 ALDH1A1 (0.73) ALDH1A1MAPTL3MBTL1LMNAPOLB

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
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed