SCHEMBL4634778

SCHEMBL4634778

CC(C)(C)OC(=O)COc1ccc2cc(/C=C3\SC(Nc4ccc(CC(=O)NS(=O)(=O)c5cccs5)cc4)=NC3=O)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.37
HDAC4 P56524 14/20 0.37
HDAC8 Q9BY41 6/20 0.37
PPARG P37231 2/20 0.37
ALOX5 P09917 2/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL4634780 1.00 PTGER3 (0.37) PTGER3HDAC4HDAC8PPARGALOX5
SCHEMBL4133218 0.81 PTGER3 (0.37) PTGER3HDAC4HDAC8PPARGPTGER1
SCHEMBL4122909 0.75 HDAC4 (0.41) HDAC4HDAC8PPARGALOX5
SCHEMBL4122907 0.75 HDAC4 (0.41) HDAC4HDAC8PPARGALOX5
SCHEMBL4137727 0.75 EGFR (0.54) HDAC4HDAC8PPARGALOX5
SCHEMBL4134117 0.74 PTPN22 (0.51) HDAC4HDAC8PPARGALOX5
SCHEMBL4134114 0.74 PTPN22 (0.51) HDAC4HDAC8PPARGALOX5
SCHEMBL4137723 0.74 EGFR (0.53) HDAC4HDAC8PPARGALOX5
SCHEMBL4137726 0.74 EGFR (0.53) HDAC4HDAC8PPARGALOX5
SCHEMBL4133908 0.74 EGFR (0.55) HDAC4ALOX5

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-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed