SCHEMBL21763976

SCHEMBL21763976

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
FPR1 P21462 4/20 0.38
FPR2 P25090 4/20 0.38
CA2 P00918 1/20 0.36
BACE1 P56817 5/20 0.35
REN P00797 1/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
CCKBR P32239 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
BACE2 Q9Y5Z0 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
SCHEMBL30590006 0.93 CTSS (0.45) CTSSCTSKFPR1FPR2CA2
SCHEMBL30480130 0.88 CTSS (0.46) CTSSCTSKFPR1FPR2REN
SCHEMBL30590010 0.86 FPR1 (0.42) CTSSCTSKFPR1FPR2FNTA
SCHEMBL30590004 0.84 CTSS (0.46) CTSSCTSKCA2FNTAFNTB
SCHEMBL10606688 0.77 CTSS (0.74) CTSSCTSKCA2BACE1
SCHEMBL9611898 0.77 CTSS (0.74) CTSSCTSKCA2BACE1
SCHEMBL30312625 0.75 CTSS (0.52) CTSSCTSK
SCHEMBL30814919 0.74 PTGS1 (0.39) CTSSCTSK
SCHEMBL30480144 0.74 CTSS (0.54) CTSSCTSKCA2BACE1REN
SCHEMBL30753792 0.74 FNTA (0.45) FPR1FPR2FNTAFNTB

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 5 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
EP-3841107-B1 SOLUTION PHASE ROUTES FOR WNT HEXAPEPTIDES WNTRESEARCH AB (SE) 2023-06-28 EP disclosed
EP-3613757-A1 SOLUTION PHASE ROUTES FOR WNT HEXAPEPTIDES Wntresearch AB (SE) 2020-02-26 EP disclosed