SCHEMBL9692797

SCHEMBL9692797

CC(C)COC(=O)c1ccc(OCC(CSc2nc3ccccc3o2)OC(=O)c2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 5/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 3/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL9692801 0.88 RAB9A (0.40) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL9121811 0.82 MAPT (0.45) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL9124267 0.82 MAPT (0.50) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL9124114 0.77 RAB9A (0.50) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL9692116 0.74 GAA (0.51) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL9692370 0.74 ADRB2 (0.41) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL9121816 0.71 MAPT (0.44) MAPTALDH1A1RAB9ANPC1TSHR
SCHEMBL4203340 0.70 L3MBTL1 (0.61) MAPTALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL9124271 0.68 RAB9A (0.47) MAPTALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL9181076 0.68 KMT2A (0.52) MAPTALDH1A1RAB9AL3MBTL1NPC1

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