SCHEMBL8957447

SCHEMBL8957447

O=C(c1ccccc1CO)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES1 P23141 2/20 0.47
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
IDO1 P14902 2/20 0.43
ATM Q13315 1/20 0.42
PLA2G2D Q9UNK4 1/20 0.39
PIM3 Q86V86 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL10717585 0.84 CES1 (0.47) MAPK1LMNACES1HTTKDM4E
SCHEMBL32665929 0.84 CES1 (0.47) MAPK1LMNACES1HTTKDM4E
SCHEMBL8576590 0.80 HPGD (0.47) HPGDMAPK1LMNAGAAL3MBTL1
SCHEMBL9747292 0.79 CES1 (0.42) MAPK1LMNACES1HTTKDM4E
SCHEMBL8182295 0.78 CES1 (0.41) HPGDMAPK1CES1HTTKDM4E
SCHEMBL11129913 0.78 CES1 (0.41) MAPK1CES1HTTKDM4EIDO1
SCHEMBL32665935 0.78 PDK2 (0.42) HPGDMAPK1LMNACES1HTT
SCHEMBL28094548 0.77 HPGD (0.52) HPGDLMNAGAAL3MBTL1CES1
SCHEMBL3266778 0.77 TSHR (0.41) MAPK1LMNAL3MBTL1CES1HTT
SCHEMBL9668760 0.76 GAA (0.55) HPGDLMNAGAAL3MBTL1NPC1

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
US-5498722-A HYPOTENSIVES GLAXO GROUP (GB) 1996-03-12 US disclosed