SCHEMBL22823751

SCHEMBL22823751

CCCC(F)(F)c1cc(Br)c(F)cc1OCC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
AR P10275 1/20 0.36
PDK2 Q15119 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 1/20 0.33
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 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
SCHEMBL29368471 0.77 PKM (0.47) PPARDAAK1ALOX15HSD17B10
SCHEMBL31474262 0.76 LMNA (0.49) HMGCRLMNAALDH1A1MEN1KMT2A
SCHEMBL26751660 0.73 ALDH1A1 (0.34) LMNAALDH1A1KMT2AMAPTAR
SCHEMBL29367635 0.71 PTGDR2 (0.49) PPARDAAK1ALOX15HSD17B10
SCHEMBL26968155 0.69 LMNA (0.47) HMGCRLMNAALDH1A1MEN1KMT2A
SCHEMBL28676311 0.68 AAK1 (0.37) AAK1HSD17B10
SCHEMBL29602064 0.68 AAK1 (0.37) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL22823913 0.68 AAK1 (0.37) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL31437985 0.68 PTGDR (0.40) HMGCRLMNAALDH1A1MEN1KMT2A
SCHEMBL22823750 0.68 AAK1 (0.34) MAPTAAK1

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