SCHEMBL9692116

SCHEMBL9692116

CCOC(=O)c1ccc(OCC(O)CSc2nc3ccccc3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MAPT P10636 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 4/20 0.51
TSHR P16473 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 3/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 1/20 0.48
GALR3 O60755 1/20 0.48
F2 P00734 1/20 0.45
MIF P14174 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL9124267 0.91 MAPT (0.50) GAAMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL9692121 0.84 RAB9A (0.57) GAAMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL9692370 0.82 ADRB2 (0.41) GAAMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL9122896 0.78 APEX1 (0.52) MAPTRAB9ASMN1; SMN2KMT2ATSHR
SCHEMBL9124271 0.76 RAB9A (0.47) GAAMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL9124114 0.76 RAB9A (0.50) GAAMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL9241996 0.75 RAB9A (0.39) GAAMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL9692797 0.74 MAPT (0.43) GAAMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL9690639 0.74 LMNA (0.48) GAAMAPTSMN1; SMN2KMT2ATSHR
SCHEMBL9770430 0.73 BACE1 (0.57) MAPTSMN1; SMN2KMT2ATSHRL3MBTL1

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 2 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
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