SCHEMBL10537834

SCHEMBL10537834

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.44
CTSS P25774 9/20 0.40
CTSK P43235 7/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PTPN1 P18031 1/20 0.38
AKT1 P31749 1/20 0.38
SSTR3 P32745 1/20 0.38
PPARA Q07869 2/20 0.37
REN P00797 1/20 0.37
PPARG P37231 1/20 0.37
CCKAR P32238 1/20 0.37
CCKBR P32239 1/20 0.37

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
SCHEMBL1133305 0.90 ITGB3 (0.48) ACECTSSCTSKCTSLCTSB
SCHEMBL214302 0.90 ITGB3 (0.48) ACECTSSCTSKCTSLCTSB
SCHEMBL214303 0.90 ITGB3 (0.48) ACECTSSCTSKCTSLCTSB
SCHEMBL2853525 0.87 MAPT (0.45)
SCHEMBL8488194 0.87 CTSS (0.39) ACECTSSCTSKCTSLCTSB
SCHEMBL27608994 0.87 MAPT (0.45)
SCHEMBL7547141 0.86 CTSS (0.39) ACECTSSCTSKCTSLCTSB
SCHEMBL7276364 0.86 KLK5 (0.44) ACECTSSCTSKCTSLCTSB
SCHEMBL9767869 0.86 REN (0.44) ACECTSSCTSKCTSLCTSB
SCHEMBL1486139 0.86 KLK5 (0.44) ACECTSSCTSKCTSLCTSB

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-4816598-A 4-Amino-butanoic acid derivatives SANOFI (FR) 1989-03-28 US disclosed