SCHEMBL22823912

SCHEMBL22823912

CCC(=O)c1cc(Br)c(F)cc1O[C@@H](C)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
HMGCR P04035 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 2/20 0.33
F9 P00740 1/20 0.33
PLAU P00749 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL28697520 0.87 KMT2A (0.37) TSHRMAPTL3MBTL1TDP1AAK1
SCHEMBL28697521 0.87 KMT2A (0.37) TSHRMAPTL3MBTL1TDP1AAK1
SCHEMBL22805601 0.79 SMN1; SMN2 (0.46) GAATSHRMAPK1MAPTL3MBTL1
SCHEMBL22805604 0.79 SMN1; SMN2 (0.46) GAATSHRMAPK1MAPTL3MBTL1
SCHEMBL22823913 0.78 AAK1 (0.37) GAATSHRMAPK1MAPTL3MBTL1
SCHEMBL29602064 0.78 AAK1 (0.37) GAATSHRMAPK1MAPTL3MBTL1
SCHEMBL28676314 0.77 HMGCR (0.35) L3MBTL1AAK1HMGCRSMN1; SMN2ALDH1A1
SCHEMBL22823745 0.77 HMGCR (0.35) L3MBTL1AAK1HMGCRSMN1; SMN2ALDH1A1
SCHEMBL22823906 0.77 MAPT (0.34) GAATSHRMAPK1MAPTL3MBTL1
SCHEMBL29602355 0.77 HMGCR (0.35) L3MBTL1AAK1HMGCRSMN1; SMN2ALDH1A1

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-2020254559-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2020-12-24 WO disclosed