SCHEMBL6505073

SCHEMBL6505073

COC(=O)C(C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
STS P08842 7/20 0.51
RECQL P46063 1/20 0.50
KMT2A Q03164 4/20 0.48
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46

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
SCHEMBL3923396 0.87 HPGD (0.54) HPGDPTPN2PTPN1PTPN6STS
SCHEMBL23674877 0.85 HPGD (0.61) HPGDPTPN2PTPN1PTPN6STS
SCHEMBL2585461 0.83 PTPN2 (0.49) HPGDPTPN2PTPN1PTPN6STS
SCHEMBL6106540 0.82 HPGD (0.54) HPGDPTPN2PTPN1PTPN6STS
SCHEMBL7746749 0.82 ITGB3 (0.56) HPGDKMT2AALDH1A1MAPTMEN1
SCHEMBL20366042 0.81 TSHR (0.50) HPGDPTPN2PTPN1PTPN6STS
SCHEMBL21184012 0.81 HPGD (0.52) HPGDPTPN2PTPN1PTPN6STS
SCHEMBL12189222 0.80 HPGD (0.51) HPGDPTPN2PTPN1PTPN6STS
SCHEMBL2146474 0.79 HPGD (0.57) HPGDPTPN2PTPN1PTPN6STS
SCHEMBL3821259 0.78 EPHX1 (0.54) HPGDPTPN2PTPN1PTPN6RECQL

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