SCHEMBL21063443

SCHEMBL21063443

CC(C)(C)OC(=O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.57
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HSD11B1 P28845 5/20 0.48
CYP2C9 P11712 1/20 0.48
KCNA3 P22001 1/20 0.46
BTK Q06187 1/20 0.43
DRD2 P14416 2/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
CCR5 P51681 1/20 0.41
NPY5R Q15761 3/20 0.41

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
SCHEMBL21098084 1.00 CTSK (0.57) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL21098058 1.00 CTSK (0.57) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL3448253 0.89 CTSK (0.52) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL3448248 0.89 CTSK (0.52) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL10293867 0.89 CTSK (0.57) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL8256718 0.89 CTSK (0.57) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL5847911 0.89 CTSK (0.57) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL10006308 0.89 CTSK (0.57) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL3942865 0.85 CTSK (0.59) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL12321230 0.85 CTSK (0.59) CTSKCA1CA2HSD11B1CYP2C9

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