SCHEMBL7674539

SCHEMBL7674539

COc1ccc(CNC(=O)[C@H](Cc2ccc(OCC(=O)O)c(C(=O)O)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.74
PTPN22 Q9Y2R2 1/20 0.54
PSMB1 P20618 4/20 0.49
PSMB9 P28065 3/20 0.49
PSMB5 P28074 3/20 0.49
PSMB10 P40306 3/20 0.49
PSMB2 P49721 3/20 0.49
PSMB8 P28062 2/20 0.49
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49

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
SCHEMBL7693851 0.95 PTPN1 (0.80) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7693854 0.95 PTPN1 (0.80) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7671807 0.88 PTPN1 (0.72) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7680706 0.87 PTPN1 (0.83) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7672386 0.87 PTPN1 (0.83) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7798217 0.86 PTPN1 (0.82) PTPN1PTPN22PSMB1PSMB9PSMB5
SCHEMBL7676519 0.86 PTPN1 (0.76) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7671723 0.85 PTPN1 (0.86) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7673490 0.85 PTPN1 (0.86) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7672339 0.85 PTPN1 (0.71) PTPN1PTPN22CTSSCTSLCTSB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed