SCHEMBL9690639

SCHEMBL9690639

CC(C)COC(=O)c1ccc(OCC(O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
POLB P06746 4/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 3/20 0.43
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL9123641 0.90 LMNA (0.48) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL9690647 0.85 LMNA (0.48) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL9124267 0.82 MAPT (0.50) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9692370 0.81 ADRB2 (0.41) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9222642 0.80 PTGES (0.47) LMNAKMT2AKDM4EHPGDHSD17B10
SCHEMBL9123644 0.78 LMNA (0.49) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL9693018 0.76 RAB9A (0.62) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL9692116 0.74 GAA (0.51) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL9690566 0.73 GAA (0.45) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL9125655 0.73 APEX1 (0.51) LMNAPOLBMEN1KMT2AALDH1A1

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