SCHEMBL12475469

SCHEMBL12475469

COC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(C)=O)[C@@H](C)OCc1ccccc1)[C@@H](C)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP1 P03956 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN9A Q15858 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41

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
SCHEMBL30751663 0.88 MMP9 (0.53) MMP9MMP8MMP1MEN1LMNA
SCHEMBL24814077 0.88 MMP9 (0.53) MMP9MMP8MMP1MEN1LMNA
SCHEMBL12475471 0.85 MMP9 (0.44) MMP9MMP8MMP1MEN1LMNA
SCHEMBL12475473 0.81 MMP9 (0.44) MMP9MMP8MMP1MEN1LMNA
SCHEMBL19520887 0.80 MMP9 (0.62) MMP9MMP8MMP1LMNA
SCHEMBL25139529 0.80 MMP9 (0.53) MMP9MMP8MMP1MEN1KMT2A
SCHEMBL24814066 0.80 MMP1 (0.59) MMP9MMP8MMP1MEN1LMNA
SCHEMBL19520888 0.80 MMP9 (0.62) MMP9MMP8MMP1LMNA
SCHEMBL27258437 0.79 MMP9 (0.51) MMP9MMP8MMP1MEN1LMNA
SCHEMBL19520895 0.78 MMP9 (0.55) MMP9MMP8MMP1MEN1LMNA

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
WO-2012108990-A2 PEPTIDE-PHOSPHOLIPID CONJUGATES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-08-16 WO disclosed