SCHEMBL4842173

SCHEMBL4842173

CC(C)(C)OC(=O)N1CCC(C=O)CC1.CON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.46
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
GPR119 Q8TDV5 5/20 0.41
EPHX1 P07099 1/20 0.40
STS P08842 5/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL407899 0.91 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL3730650 0.86 HPGD (0.51) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL23727040 0.86 HPGD (0.58) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL18519692 0.86 HPGD (0.58) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL227336 0.84 HPGD (0.55) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL586312 0.83 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL389962 0.83 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL894559 0.83 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL27618591 0.80 GPR119 (0.52) HPGDRECQLGPR119EPHX1USP2
SCHEMBL2657012 0.78 HPGD (0.57) HPGDRECQLPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996583-A1 THIAZOLES AS NF-KB INHIBITORS (PROTEASOME INHIBITORS) 4SC AG (DE) 2008-12-03 EP disclosed
EP-1994017-A2 NOVEL HETEROCYCLIC NF-KB INHIBITORS 4SC AG (DE) 2008-11-26 EP disclosed
WO-2007104557-A2 NOVEL HETEROCYCLIC NF-KB INHIBITORS 4SC AG (DE) 2007-09-20 WO disclosed
WO-2007104558-A1 THIAZOLES AS NF-KB INHIBITORS (PROTEASOME INHIBITORS) 4SC AG (DE) 2007-09-20 WO disclosed