SCHEMBL8971895

SCHEMBL8971895

CSCCC(C=O)NC(=O)[C@H](CC(C)C)NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
BACE1 P56817 7/20 0.43
CTSD P07339 6/20 0.43
FOLH1 Q04609 1/20 0.42
CTSB P07858 1/20 0.40
FPR1 P21462 4/20 0.39
FPR2 P25090 4/20 0.39
CPA1 P15085 1/20 0.38
CPA2 P48052 1/20 0.38
CPA4 Q9UI42 1/20 0.38
REN P00797 1/20 0.37
CTSK P43235 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
SCHEMBL25465168 1.00 ALDH1A1 (0.45) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL2162504 0.99 CTSD (0.45) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL18328807 0.99 CTSD (0.45) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL23133173 0.99 CTSD (0.45) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL6041187 0.99 CTSD (0.45) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL24178172 0.96 CTSD (0.48) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL25466117 0.92 FOLH1 (0.49) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL24427098 0.89 CTSD (0.40) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL25466074 0.87 BACE1 (0.39) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL25465185 0.86 REN (0.52) BACE1CTSDCTSBFPR1FPR2

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