SCHEMBL30590004

SCHEMBL30590004

CSCC[C@H](N)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.46
CTSK P43235 4/20 0.46
CA2 P00918 1/20 0.38
PTGS1 P23219 1/20 0.36
GSTK1 Q9Y2Q3 1/20 0.36
GLO1 Q04760 1/20 0.35
TSHR P16473 1/20 0.34
FNTA P49354 7/20 0.34
FNTB P49356 7/20 0.34
PGGT1B P53609 6/20 0.34
CCKBR P32239 2/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL30590000 0.87 CTSS (0.45) CTSSCTSKCA2FNTAFNTB
SCHEMBL30814919 0.87 PTGS1 (0.39) CTSSCTSKPTGS1GSTK1GLO1
SCHEMBL30480133 0.86 FNTA (0.44) CTSSCTSKPTGS1GSTK1FNTA
SCHEMBL30590002 0.85 PTGS1 (0.42) CTSSCTSKPTGS1GSTK1GLO1
SCHEMBL21763976 0.84 CTSS (0.47) CTSSCTSKCA2FNTAFNTB
SCHEMBL30052506 0.83 TSHR (0.47) CTSSCTSKPTGS1GSTK1GLO1
SCHEMBL30814833 0.82 PTGS1 (0.38) CTSSCTSKPTGS1GSTK1GLO1
SCHEMBL30814967 0.82 PTGS1 (0.38) CTSSCTSKPTGS1GSTK1GLO1
SCHEMBL31142113 0.82 PTGS1 (0.42) CTSSCTSKPTGS1GSTK1GLO1
SCHEMBL30575170 0.80 PTGS1 (0.42) CTSSCTSKPTGS1GSTK1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970551-B2 Solution phase routes for WNT hexapeptides WNTRESEARCH AB (SE) 2024-04-30 US disclosed
US-11912791-B2 Solution phase routes for Wnt hexapeptides WNTRESEARCH AB (SE) 2024-02-27 US disclosed
US-20230295232-A1 SOLUTION PHASE ROUTES FOR WNT HEXAPEPTIDES WNTRESEARCH AB (SE) 2023-09-21 US disclosed