SCHEMBL9692997

SCHEMBL9692997

CC(C)COC(=O)c1ccc(OCC(O)CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.46
ADORA2A P29274 4/20 0.44
ADORA2B P29275 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
PABPC1 P11940 1/20 0.41
MAPK1 P28482 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL9238191 0.90 MEN1 (0.57) EGFRMEN1LMNAHTTKMT2A
SCHEMBL9692973 0.86 EGFR (0.54) EGFRMEN1LMNAHTTKMT2A
SCHEMBL9241071 0.78 ALDH1A1 (0.48) MEN1LMNAHTTKMT2AALDH1A1
SCHEMBL9693206 0.77 SMN1; SMN2 (0.52) MEN1LMNAHTTKMT2AALDH1A1
SCHEMBL9222642 0.74 PTGES (0.47) LMNAKMT2A
SCHEMBL9693067 0.73 TSHR (0.41) MEN1LMNAKMT2AALDH1A1MAPK1
SCHEMBL9124612 0.72 MAPT (0.51) LMNAHTTKMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL9124078 0.71 RAB9A (0.47) MEN1KMT2AALDH1A1
SCHEMBL9690566 0.71 GAA (0.45) MEN1LMNAKMT2AALDH1A1
SCHEMBL9693018 0.70 RAB9A (0.62) MEN1LMNAKMT2AALDH1A1MAPK1

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