SCHEMBL2146340

SCHEMBL2146340

CC(C)(C)OC(=O)N1CC[C@@H](SC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
GPR119 Q8TDV5 4/20 0.46
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H2 P55055 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
USP30 Q70CQ3 1/20 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
SCHEMBL2146334 1.00 HPGD (0.49) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL22488513 0.87 HPGD (0.47) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL22468421 0.87 HPGD (0.47) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL23207055 0.85 HPGD (0.50) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL22680124 0.85 HPGD (0.50) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL31319964 0.85 HPGD (0.50) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL31320009 0.83 HPGD (0.49) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL29063819 0.83 HPGD (0.49) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL24261185 0.83 HPGD (0.49) HPGDRECQLEPHX1GPR119MAPT
SCHEMBL20232810 0.83 HPGD (0.49) HPGDRECQLEPHX1GPR119MAPT

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-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed