SCHEMBL9124267

SCHEMBL9124267

CC(C)COC(=O)c1ccc(OCC(O)CSc2nc3ccccc3o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
RAB9A P51151 6/20 0.50
MAPK1 P28482 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 3/20 0.50
NPC1 O15118 2/20 0.50
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
GALR3 O60755 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL9692116 0.91 GAA (0.51) MAPTRAB9AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL9692370 0.91 ADRB2 (0.41) MAPTRAB9AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL9124114 0.85 RAB9A (0.50) MAPTRAB9AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL9124271 0.85 RAB9A (0.47) MAPTRAB9AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL9690639 0.82 LMNA (0.48) MAPTL3MBTL1SMN1; SMN2TSHRKMT2A
SCHEMBL9692797 0.82 MAPT (0.43) MAPTRAB9AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL9241996 0.80 RAB9A (0.39) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL9125655 0.79 APEX1 (0.51) MAPTRAB9AMAPK1SMN1; SMN2TSHR
SCHEMBL9693206 0.79 SMN1; SMN2 (0.52) MAPTRAB9AMAPK1SMN1; SMN2TSHR
SCHEMBL9693018 0.79 RAB9A (0.62) MAPTRAB9AMAPK1SMN1; SMN2TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520552-A1 Derivatives of (hetero) aromatic ethers and thioethers having antihyperlipidemic activity, process for their preparation and pharmaceutical compositions containing them PIERREL S.p.A. (IT) 1992-12-30 EP claimed
US-5470858-A Anticholesterol agents PIERREL SPA (IT) 1995-11-28 US disclosed
EP-0520552-A1 Derivatives of (hetero) aromatic ethers and thioethers having antihyperlipidemic activity, process for their preparation and pharmaceutical compositions containing them PIERREL S.p.A. (IT) 1992-12-30 EP disclosed