SCHEMBL21063402

SCHEMBL21063402

CCOC(=O)CN1CC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
BTK Q06187 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 2/20 0.37
GAA P10253 1/20 0.37
KCNA3 P22001 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
NFKB1 P19838 1/20 0.35

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
SCHEMBL3448253 0.89 CTSK (0.52) CTSKBTKCA1CA2KMT2A
SCHEMBL3448248 0.89 CTSK (0.52) CTSKBTKCA1CA2KMT2A
SCHEMBL16443515 0.87 CA1 (0.52) CTSKBTKCA1CA2KMT2A
SCHEMBL30379398 0.87 CA1 (0.52) CTSKBTKCA1CA2KMT2A
SCHEMBL21069361 0.87 CTSK (0.47) CTSKBTKCA1CA2KMT2A
SCHEMBL7578299 0.86 CTSK (0.48) CTSKBTKCA1CA2KMT2A
SCHEMBL21063389 0.82 CTSK (0.48) CTSKBTKCA1CA2KMT2A
SCHEMBL17970109 0.82 CTSK (0.50) CTSKBTKCA1CA2KMT2A
SCHEMBL30952422 0.80 CTSK (0.40) CTSKBTKCA1CA2KMT2A
SCHEMBL18551142 0.80 KCNA3 (0.43) CTSKBTKCA1CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed