SCHEMBL31564563

SCHEMBL31564563

COc1ccc(CN2C[C@H](C(=O)O)OCC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.52
▸ SIRT1 Q96EB6 1/20 0.52
▸ MMP1 P03956 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ GRM2 Q14416 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL31581616 1.00 SIRT2 (0.52) SIRT2SIRT1MMP1MMP13GRM2
SCHEMBL31564712 0.90 SIRT2 (0.52) SIRT2SIRT1MMP1MMP13GRM2
SCHEMBL31581772 0.87 MMP1 (0.51) SIRT2SIRT1MMP1MMP13GRM2
SCHEMBL31564745 0.85 SIRT2 (0.47) SIRT2SIRT1MMP1MMP13GRM2
SCHEMBL31564823 0.85 SIRT2 (0.47) SIRT2SIRT1MMP1MMP13GRM2
SCHEMBL7021648 0.84 SIRT1 (0.50) SIRT1CYP2C19ALDH1A1L3MBTL1KMT2A
SCHEMBL26649877 0.83 BTK (0.48) ALDH1A1KMT2AMAPK1SMN1; SMN2MEN1
SCHEMBL18603295 0.82 GRM2 (0.63) SIRT2SIRT1MMP1MMP13GRM2
SCHEMBL18603291 0.82 GRM2 (0.63) SIRT2SIRT1MMP1MMP13GRM2
SCHEMBL6496941 0.82 GRM2 (0.62) SIRT2SIRT1MMP1MMP13GRM2

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-2025096453-A1 COMPOUNDS FOR THE TREATMENT OF KIDNEY DISEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-08 — — WO disclosed
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