SCHEMBL8972190

SCHEMBL8972190

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
BACE1 P56817 9/20 0.44
CTSD P07339 8/20 0.44
FOLH1 Q04609 1/20 0.43
CTSB P07858 1/20 0.41
FPR1 P21462 3/20 0.38
FPR2 P25090 3/20 0.38
REN P00797 1/20 0.38

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
SCHEMBL17951617 0.83 CTSD (0.49) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL21012039 0.82 CTSD (0.50) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL20255738 0.82 CTSD (0.50) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL16557153 0.82 ALDH1A1 (0.54) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL8972235 0.81 ALDH1A1 (0.47) ALDH1A1
SCHEMBL21049238 0.81 ALDH1A1 (0.60) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL17210508 0.81 CTSD (0.52) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL21049237 0.81 ALDH1A1 (0.60) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL28564205 0.81 ALDH1A1 (0.47) ALDH1A1
SCHEMBL17536608 0.81 ALDH1A1 (0.60) ALDH1A1BACE1CTSDFOLH1CTSB

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