SCHEMBL6487540

SCHEMBL6487540

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
PARP1 P09874 1/20 0.51
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PREP P48147 1/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46

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
SCHEMBL15298945 1.00 PDK1 (0.53) PDK1PDK2PDK3PDK4PARP1
SCHEMBL1288345 1.00 PDK1 (0.53) PDK1PDK2PDK3PDK4PARP1
SCHEMBL13681760 0.96 PARP1 (0.55) PDK1PDK2PDK3PDK4PARP1
SCHEMBL2820733 0.96 PARP1 (0.55) PDK1PDK2PDK3PDK4PARP1
SCHEMBL20129643 0.96 PARP1 (0.55) PDK1PDK2PDK3PDK4PARP1
SCHEMBL22034113 0.94 NPSR1 (0.49) PARP1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL30289331 0.93 PDK1 (0.54) PDK1PDK2PDK3PDK4PARP1
SCHEMBL3779343 0.93 PDK1 (0.54) PDK1PDK2PDK3PDK4PARP1
SCHEMBL4676650 0.93 PDK1 (0.54) PDK1PDK2PDK3PDK4PARP1
SCHEMBL21809130 0.92 SMN1; SMN2 (0.54) PDK1PDK2PDK3PDK4HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692057-A1 NOVEL B0AT1 INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2026-02-11 EP disclosed
WO-2024210198-A1 NOVEL B0AT1 INHIBITOR 田辺三菱製薬株式会社 2024-10-10 WO disclosed
US-6911442-B1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-06-28 US disclosed
EP-1187828-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-04-21 EP disclosed
EP-1187828-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
WO-2000078748-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-28 WO disclosed