SCHEMBL9533468

SCHEMBL9533468

O=C1NC(Cc2ccc(OCCN(CC(O)c3ccccc3)C(=O)OCc3ccccc3)cc2)C(=O)S1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FFAR1 O14842 7/20 0.38
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PPARG P37231 5/20 0.34
RARG P13631 1/20 0.34
RXRA P19793 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL9533458 0.84 FFAR1 (0.56) FFAR1PPARGRARGRXRA
SCHEMBL9536508 0.83 ITGB3 (0.44) MEN1KMT2AITGB3ITGA2BHRH3
SCHEMBL9534433 0.81 MEN1 (0.47) MEN1KMT2AFFAR1ITGB3ITGA2B
SCHEMBL9533148 0.79 HPGD (0.57) PPARG
SCHEMBL9533108 0.79 HPGD (0.57) PPARG
SCHEMBL9533152 0.78 HPGD (0.44) MEN1KMT2APPARG
SCHEMBL9533567 0.77 MEN1 (0.46) MEN1KMT2AALOX15
SCHEMBL9532314 0.75 LTB4R (0.41) FFAR1HRH3PPARGRARGRXRA
SCHEMBL9536665 0.74 LTB4R (0.40) FFAR1HRH3PPARGRARGRXRA
SCHEMBL9326656 0.74 HRH3 (0.48) MEN1KMT2AFFAR1HRH3PPARG

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 4 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 claimed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO claimed
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