SCHEMBL13747145

SCHEMBL13747145

CC(C)[C@@H](O)C(=O)N[C@@H](C)C(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
HPGD P15428 1/20 0.34
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL13337051 0.80 DPP4 (0.41) MMP1MMP2MMP8JAK2JAK1
SCHEMBL24709908 0.79 PREP (0.45) MMP1MMP2MMP8JAK2JAK1
SCHEMBL8488963 0.78 MMP1 (0.46) MMP1MMP2MMP8HPGDDPP4
SCHEMBL13337035 0.77 DPP4 (0.39) MMP1MMP2MMP8JAK2JAK1
SCHEMBL13337040 0.77 DPP4 (0.39) MMP1MMP2MMP8JAK2JAK1
SCHEMBL17275494 0.77 HPGD (0.41) MMP1MMP2MMP8JAK2JAK1
SCHEMBL4239694 0.77 HPGD (0.41) MMP1MMP2MMP8JAK2JAK1
SCHEMBL17282576 0.77 PREP (0.50) MMP1MMP2MMP8JAK2JAK1
SCHEMBL8487739 0.77 MMP1 (0.49) MMP1MMP2MMP8HPGDDPP4
SCHEMBL17991731 0.76 PREP (0.49) MMP1MMP2MMP8JAK2JAK1

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-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed