SCHEMBL9534433

SCHEMBL9534433

O=C(OCc1ccccc1)N(CCOc1ccc(CO)cc1)CC(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.41
LTA4H P09960 1/20 0.41
LAP3 P28838 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 2/20 0.39
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
NPY5R Q15761 1/20 0.39
FFAR1 O14842 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
BACE1 P56817 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 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
SCHEMBL9533567 0.87 MEN1 (0.46) MEN1KMT2AALOX15LTA4HLAP3
SCHEMBL14823645 0.84 ALOX5 (0.46) MEN1KMT2AALOX15MAPTL3MBTL1
SCHEMBL9533458 0.82 FFAR1 (0.56) FFAR1PPARGPPARA
SCHEMBL9533468 0.81 MEN1 (0.41) MEN1KMT2AALOX15FFAR1ITGB3
SCHEMBL9533108 0.79 HPGD (0.57) PPARG
SCHEMBL9533148 0.79 HPGD (0.57) PPARG
SCHEMBL9533152 0.79 HPGD (0.44) MEN1KMT2APPARG
SCHEMBL20380518 0.75 RAB9A (0.54) LTA4HLAP3MAPTL3MBTL1CCR6
SCHEMBL8976312 0.74 ALOX15 (0.52) MEN1KMT2AALOX15ALOX5BACE1
SCHEMBL4583955 0.73 KMT2A (0.54) MEN1KMT2AALOX15MAPTL3MBTL1

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-0555251-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP plc (GB) 1993-08-18 EP disclosed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO disclosed