SCHEMBL31564745

SCHEMBL31564745

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ GRM2 Q14416 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL31564823 1.00 SIRT2 (0.47) SIRT2SIRT1MAPK1LMNAMMP1
SCHEMBL31581616 0.85 SIRT2 (0.52) SIRT2SIRT1MAPK1MMP1MMP13
SCHEMBL31564563 0.85 SIRT2 (0.52) SIRT2SIRT1MAPK1MMP1MMP13
SCHEMBL31564712 0.85 SIRT2 (0.52) SIRT2SIRT1MAPK1LMNAMMP1
SCHEMBL18603269 0.84 GRM2 (0.57) SIRT2SIRT1MAPK1LMNAMMP1
SCHEMBL18622408 0.84 GRM2 (0.57) SIRT2SIRT1MAPK1LMNAMMP1
SCHEMBL31581772 0.82 MMP1 (0.51) SIRT2SIRT1MAPK1LMNAMMP1
SCHEMBL2191833 0.81 ALDH1A1 (0.59) MAPK1LMNAALDH1A1CYP3A4CYP2C19
SCHEMBL6498337 0.77 GRM2 (0.62) SIRT2SIRT1MMP1MMP13GRM2
SCHEMBL6496941 0.77 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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