SCHEMBL1746403

SCHEMBL1746403

CC(=O)OOc1ccc(O)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
HTT P42858 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
PTPN1 P18031 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
LMNA P02545 1/20 0.31
SCN5A Q14524 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7737634 0.82 ALDH1A1 (0.38) KDM4EHSD17B10PTPN1ESR1SCN5A
SCHEMBL7538049 0.80 PIM1 (0.53) PIM1HTTKDM4EGAAHSD17B10
SCHEMBL10738010 0.76 PTPN1 (0.44) HTTKDM4EGAAHSD17B10PTPN1
Acetic Acid SCHEMBL5042428 0.74 HTT (0.47) HTTKDM4EGAAMAPTESR1
SCHEMBL8818060 0.74 KDM4E (0.36) KDM4ERAB9ALMNAALDH1A1TSHR
SCHEMBL8949861 0.73 PIM1 (0.50) PIM1HTTKDM4EGAAHSD17B10
SCHEMBL11139550 0.73 POLB (0.46) KDM4EHSD17B10MAPTPTPN1ACHE
SCHEMBL31268722 0.73 PIM1 (0.50) PIM1HTTKDM4EGAAHSD17B10
SCHEMBL27642137 0.73 ERN1 (0.37) MAPTALDH1A1
SCHEMBL27623412 0.72 TSHR (0.50) KDM4EGAAHSD17B10MAPTTP53

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
EP-2386540-A1 Novel compounds, their preparation and use High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed