SCHEMBL9536508

SCHEMBL9536508

CN(CCOc1ccc(CC2NC(=O)SC2=O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PPARG P37231 5/20 0.41
RARG P13631 1/20 0.41
RXRA P19793 1/20 0.41
LTB4R Q15722 3/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
LTA4H P09960 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.38
ALOX5 P09917 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4C Q9H3R0 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
SCHEMBL9532314 0.91 LTB4R (0.41) PPARGRARGRXRALTB4RLTB4R2
SCHEMBL9536665 0.91 LTB4R (0.40) PPARGRARGRXRALTB4RLTB4R2
SCHEMBL9535011 0.88 PPARG (0.42) PPARGRARGRXRALTB4RLTB4R2
SCHEMBL9121904 0.87 MAPT (0.43) PPARGRARGRXRALTA4HHRH3
SCHEMBL9123920 0.85 LTB4R (0.46) PPARGRARGRXRALTB4RLTB4R2
SCHEMBL9533468 0.83 MEN1 (0.41) ITGB3ITGA2BPPARGRARGRXRA
SCHEMBL10468305 0.83 NPY5R (0.44) PPARGRARGRXRALTA4HHRH3
SCHEMBL9536496 0.82 PPARG (0.61) PPARGRARGRXRA
SCHEMBL9325005 0.81 PPARG (0.48) PPARGRARGRXRALTA4HHRH3
SCHEMBL9326656 0.79 HRH3 (0.48) PPARGHRH3MEN1KMT2AKDM4C

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