SCHEMBL21063507

SCHEMBL21063507

CC(C)(C)OC(=O)N1CC(CC(C)(C)C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.54
NAMPT P43490 1/20 0.45
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
RORC P51449 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
GLS O94925 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL15804474 0.86 NR1H2 (0.60) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL7495704 0.84 KDM4E (0.52) NR1H2USP2SMN1; SMN2KDM4EPKM
SCHEMBL894282 0.83 NR1H2 (0.57) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL21063478 0.81 NR1H2 (0.49) NR1H2NAMPTUSP2SMN1; SMN2MEN1
SCHEMBL10293026 0.79 NR1H2 (0.60) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL447929 0.79 NR1H2 (0.60) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL72498 0.79 NR1H2 (0.75) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL26103528 0.79 NR1H2 (0.53) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL4932254 0.77 NR1H2 (0.58) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL1193811 0.77 NR1H2 (0.58) NR1H2NAMPTUSP2SMN1; SMN2KDM4E

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