SCHEMBL6505355

SCHEMBL6505355

COC(=O)CC(N)CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
HPGD P15428 1/20 0.46
EPHX2 P34913 1/20 0.45
RECQL P46063 1/20 0.44
HTT P42858 1/20 0.44
STS P08842 7/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.42
EPHX1 P07099 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
DPP4 P27487 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
SCHEMBL8297739 1.00 PTPN2 (0.46) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL12440441 0.87 PTPN2 (0.47) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL1580316 0.81 HPGD (0.54) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL12321126 0.78 HPGD (0.59) PTPN2PTPN1PTPN6HPGDRECQL
SCHEMBL12440443 0.78 HTT (0.53) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL413795 0.77 HPGD (0.55) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL18768415 0.76 HPGD (0.57) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL9938875 0.75 HPGD (0.56) PTPN2PTPN1PTPN6HPGDRECQL
SCHEMBL30230001 0.75 MAPT (0.54) PTPN2PTPN1PTPN6HPGDEPHX2
SCHEMBL13316252 0.74 EPHX1 (0.44) PTPN2PTPN1PTPN6HPGDRECQL

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed