SCHEMBL9692108

SCHEMBL9692108

CC(C)COC(=O)c1ccc(OCC(=O)CSc2nc3ncnc(N)c3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.46
APEX1 P27695 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
PKM P14618 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 4/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NUDT1 P36639 1/20 0.40
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL9122697 0.90 ENPP1 (0.48) ENPP1APEX1ALDH1A1HSD17B10PKM
SCHEMBL9125618 0.85 APEX1 (0.55) ENPP1APEX1ALDH1A1HSD17B10PKM
SCHEMBL10599316 0.78 PKM (0.46) ENPP1APEX1ALDH1A1HSD17B10PKM
SCHEMBL9692973 0.77 EGFR (0.54) ALDH1A1KMT2ALMNAHTT
SCHEMBL10599653 0.76 APEX1 (0.47) ENPP1APEX1ALDH1A1HSD17B10PKM
SCHEMBL10627008 0.75 ENPP1 (0.48) ENPP1APEX1ALDH1A1HSD17B10PKM
SCHEMBL9125639 0.72 PLA2G4B (0.41) ENPP1APEX1ALDH1A1KDM4E
SCHEMBL10597447 0.72 APEX1 (0.53) ENPP1APEX1ALDH1A1HSD17B10PKM
SCHEMBL9124114 0.70 RAB9A (0.50) ALDH1A1KMT2ALMNANPC1SMN1; SMN2
SCHEMBL10599314 0.70 MAPT (0.45) ALDH1A1HSD17B10PKMKMT2ALMNA

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