SCHEMBL29196178

SCHEMBL29196178

CCOC(=O)C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 3/20 0.52
MMP9 P14780 2/20 0.52
MMP1 P03956 2/20 0.52
MMP13 P45452 2/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
EEF2K O00418 4/20 0.51
MMP10 P09238 1/20 0.51
POLB P06746 3/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HIF1A Q16665 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47

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
SCHEMBL29196172 0.84 KMT2A (0.57) MMP7MMP9MMP1MMP13MMP2
SCHEMBL29196167 0.81 KMT2A (0.54) MMP2SLC1A3SLC1A2SLC1A1CA1
SCHEMBL22702734 0.80 SMN1; SMN2 (0.55) MMP7MMP9MMP1MMP13MMP2
SCHEMBL29196169 0.80 ALDH1A1 (0.58) MMP7MMP9MMP1MMP13MMP2
SCHEMBL28059643 0.78 CA2 (0.52) MMP7MMP9MMP1MMP13MMP2
SCHEMBL1464467 0.77 POLB (0.66) MMP7MMP9MMP1MMP13MMP2
SCHEMBL31278824 0.76 CA12 (0.56) SLC1A2EEF2KCA1CA2HIF1A
SCHEMBL19199672 0.75 POLB (0.56) MMP7MMP9MMP1MMP13MMP2
SCHEMBL19200695 0.75 POLB (0.56) MMP7MMP9MMP1MMP13MMP2
SCHEMBL1463532 0.75 POLB (0.53) MMP7MMP9MMP1MMP13MMP2

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
CN-117924137-A Azetidine diester and preparation method and application thereof 南宁师范大学 2024-04-26 CN disclosed