SCHEMBL8972235

SCHEMBL8972235

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PLA2G10 O15496 2/20 0.42
PLA2G2C Q5R387 2/20 0.41
CTSS P25774 2/20 0.40
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MMP3 P08254 4/20 0.38
PLA2G2A P14555 2/20 0.38
PLA2G5 P39877 2/20 0.38
MMP9 P14780 2/20 0.38
BIRC2 Q13490 2/20 0.37
CTSL P07711 1/20 0.37
CTSK P43235 1/20 0.37
CPA1 P15085 1/20 0.37
CPA2 P48052 1/20 0.37
CPA4 Q9UI42 1/20 0.37
KISS1R Q969F8 1/20 0.36

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
SCHEMBL28564205 1.00 ALDH1A1 (0.47) ALDH1A1PLA2G10PLA2G2CCTSSSIRT6
SCHEMBL4367034 0.99 ALDH1A1 (0.46) ALDH1A1PLA2G10PLA2G2CCTSSSIRT6
SCHEMBL7325484 0.86 PLA2G10 (0.43) PLA2G10CTSSMMP3PLA2G2APLA2G5
SCHEMBL7333517 0.85 PLA2G10 (0.58) PLA2G10PLA2G2CPLA2G2APLA2G5
SCHEMBL7371455 0.83 CAPN1 (0.42) PLA2G10CTSSBIRC2CTSLCTSK
SCHEMBL7376759 0.83 PLA2G10 (0.60) PLA2G10PLA2G2CPLA2G2APLA2G5
SCHEMBL7335388 0.83 PLA2G10 (0.60) PLA2G10PLA2G2CPLA2G2APLA2G5
SCHEMBL21387168 0.82 ALDH1A1 (0.50) ALDH1A1CTSSSIRT6SIRT1MMP3
SCHEMBL9064502 0.82 PLA2G10 (0.48) PLA2G10PLA2G2CMMP3PLA2G2APLA2G5
SCHEMBL7335551 0.81 CTSK (0.53) CTSSCTSLCTSK

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