SCHEMBL8129238

SCHEMBL8129238

COC(=O)CC(C=O)OC(=O)[C@@H](N)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
SLC7A5 Q01650 1/20 0.32
SLC15A1 P46059 1/20 0.31
PAX8 Q06710 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8148381 0.86 IARS1 (0.34)
SCHEMBL8120553 0.85 MGAM (0.35) PSMB5MMP1MMP2MMP3MMP9
SCHEMBL8127269 0.81 PSMB5 (0.32) PSMB5
SCHEMBL8127680 0.79 SLC7A5 (0.37) PSMB5SLC7A5PAX8
SCHEMBL8130196 0.79 SLC7A5 (0.37) PSMB5SLC7A5PAX8TSHR
SCHEMBL8127880 0.76 SLC15A1 (0.60) MMP9SLC15A1TSHR
SCHEMBL8127763 0.76 CTSK (0.36) PSMB5SLC7A5SLC15A1
SCHEMBL8129236 0.75 PSMB5 (0.33) PSMB5SLC7A5SLC15A1
SCHEMBL8129694 0.74 MGAM (0.34) TSHR
SCHEMBL8129259 0.73 CTSK (0.44) SLC15A1TSHR

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-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed