SCHEMBL5679261

SCHEMBL5679261

CC[C@H](C)[C@H](N)C(=O)Oc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 5/20 0.40
DPP9 Q86TI2 5/20 0.40
DPP7 Q9UHL4 4/20 0.40
DPP4 P27487 2/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CTSK P43235 1/20 0.37
ALOX5 P09917 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
HSPA5 P11021 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
SCHEMBL27852212 0.81 MMP1 (0.41) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL41616 0.81 MMP1 (0.43) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL3399442 0.81 MMP1 (0.43) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL7620751 0.79 SLC15A1 (0.37) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL27711054 0.78 MMP1 (0.41) MMP1MMP2MMP9MMP12RAB9A
SCHEMBL1897993 0.78 MMP1 (0.41) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL8228297 0.77 MMP1 (0.45) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL29159324 0.77 MMP1 (0.40) MMP1MMP2MMP9MMP12SLC1A3
SCHEMBL27458824 0.76 MMP1 (0.44) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL7780494 0.75 DPP8 (0.48) DPP8DPP9DPP7DPP4SLC1A3

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
EP-1392718-B1 IMPROVED NATIVE CHEMICAL LIGATION WITH THREE OR MORE COMPONENTS GENEPROT INC (CH) 2006-01-11 EP disclosed