SCHEMBL7680847

SCHEMBL7680847

CC(C)NCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.83
PTPN22 Q9Y2R2 1/20 0.59
PTPRA P18433 1/20 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
SCHEMBL7671723 0.91 PTPN1 (0.86) PTPN1PTPN22PTPRACTSSCTSL
SCHEMBL7673490 0.91 PTPN1 (0.86) PTPN1PTPN22PTPRACTSSCTSL
SCHEMBL6575372 0.91 PTPN1 (1.00) PTPN1PTPN22PTPRA
SCHEMBL7674533 0.91 PTPN1 (0.88) PTPN1PTPN22PTPRACTSS
SCHEMBL6572424 0.91 PTPN1 (0.88) PTPN1PTPN22PTPRACTSS
SCHEMBL7673434 0.90 PTPN1 (0.81) PTPN1PTPN22PTPRACTSSCTSL
SCHEMBL7680325 0.90 PTPN1 (0.87) PTPN1PTPN22PTPRACTSS
SCHEMBL7672386 0.90 PTPN1 (0.83) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7680706 0.90 PTPN1 (0.83) PTPN1PTPN22CTSSCTSLCTSB
SCHEMBL7680978 0.89 PTPN1 (0.85) PTPN1PTPN22PTPRACTSS

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