SCHEMBL8971898

SCHEMBL8971898

COC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.48
BACE1 P56817 4/20 0.48
CYP2C9 P11712 1/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BIRC2 Q13490 1/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL20255738 0.87 CTSD (0.50) CTSDBACE1ALDH1A1
SCHEMBL21012039 0.87 CTSD (0.50) CTSDBACE1ALDH1A1
SCHEMBL111170 0.87 ALDH1A1 (0.56) CYP2C9GAAALDH1A1FNTAFNTB
SCHEMBL111169 0.87 ALDH1A1 (0.56) CYP2C9GAAALDH1A1FNTAFNTB
SCHEMBL11205882 0.87 ALDH1A1 (0.56) CYP2C9GAAALDH1A1FNTAFNTB
SCHEMBL17210508 0.86 CTSD (0.52) CTSDBACE1ALDH1A1
SCHEMBL21049238 0.86 ALDH1A1 (0.60) CTSDBACE1ALDH1A1
SCHEMBL21049237 0.86 ALDH1A1 (0.60) CTSDBACE1ALDH1A1
SCHEMBL17536608 0.86 ALDH1A1 (0.60) CTSDBACE1ALDH1A1
SCHEMBL17536609 0.86 ALDH1A1 (0.60) CTSDBACE1ALDH1A1

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-0543310-B1 Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LTD (JP) 1996-03-27 EP disclosed
US-5395824-A Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LIMITED (JP) 1995-03-07 US disclosed