SCHEMBL22823903

SCHEMBL22823903

CCC(F)(F)c1cc(Br)cc(F)c1O[C@@H](C)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
NOTUM Q6P988 2/20 0.35
AAK1 Q2M2I8 2/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
F9 P00740 1/20 0.32
PLAU P00749 1/20 0.32
ALDH1A1 P00352 2/20 0.30
FPR2 P25090 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL29602013 1.00 MAPT (0.35) MAPTNOTUMAAK1POLBSMN1; SMN2
SCHEMBL28673194 0.88 PPARA (0.36) MAPTNOTUMAAK1FPR2
SCHEMBL28673193 0.88 PPARA (0.36) MAPTNOTUMAAK1FPR2
SCHEMBL29601859 0.85 TAS1R3 (0.34) MAPTAAK1
SCHEMBL28463373 0.83 MAPT (0.38) MAPTNOTUMPOLBSMN1; SMN2F9
SCHEMBL28457438 0.83 MAPT (0.38) MAPTNOTUMPOLBSMN1; SMN2F9
SCHEMBL28457435 0.83 MAPT (0.38) MAPTNOTUMPOLBSMN1; SMN2F9
SCHEMBL22805703 0.79 LMNA (0.44) MAPTAAK1POLBSMN1; SMN2F9
SCHEMBL22805702 0.79 LMNA (0.44) MAPTAAK1POLBSMN1; SMN2F9
SCHEMBL22823913 0.78 AAK1 (0.37) MAPTNOTUMAAK1POLBSMN1; SMN2

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