SCHEMBL4078273

SCHEMBL4078273

CC(C)(C)OC(=O)N1CCC(=CC(=O)NO)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.44
GRM5 P41594 1/20 0.44
ESR2 Q92731 1/20 0.41
EPHX1 P07099 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
NR1H2 P55055 1/20 0.40
F13A1 P00488 2/20 0.39
TGM2 P21980 2/20 0.39
TGM1 P22735 1/20 0.39

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
SCHEMBL106354 0.83 USP2 (0.46) USP2SMN1; SMN2GRM5ESR2EPHX1
SCHEMBL843458 0.83 USP2 (0.49) USP2SMN1; SMN2GRM5ESR2EPHX1
SCHEMBL2948300 0.83 USP2 (0.49) USP2SMN1; SMN2GRM5ESR2EPHX1
SCHEMBL14419067 0.83 USP2 (0.49) USP2SMN1; SMN2GRM5ESR2EPHX1
SCHEMBL3880705 0.82 SMN1; SMN2 (0.40) USP2SMN1; SMN2GRM5ESR2EPHX1
SCHEMBL513310 0.81 GRM5 (0.48) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL24673913 0.79 USP2 (0.51) USP2SMN1; SMN2GRM5ESR2EPHX1
SCHEMBL10253506 0.79 USP2 (0.51) USP2SMN1; SMN2GRM5ESR2EPHX1
SCHEMBL7603660 0.79 USP2 (0.45) USP2SMN1; SMN2GRM5ESR2ADORA1
SCHEMBL3947744 0.78 HPGD (0.43) USP2SMN1; SMN2GRM5ESR2EPHX1

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-2009117808-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-10-01 WO claimed
WO-2009117808-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-10-01 WO disclosed