SCHEMBL28944271

SCHEMBL28944271

[CH2]CCOC(=O)[C@H]1CN(C(C)=O)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.51
MMP13 P45452 12/20 0.51
MMP9 P14780 11/20 0.51
MMP3 P08254 10/20 0.51
MMP7 P09237 9/20 0.51
ADAM17 P78536 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
HSD11B1 P28845 1/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
FKBP1A P62942 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL27770182 0.86 MMP1 (0.62) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2690125 0.84 MMP1 (0.58) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2690128 0.84 MMP1 (0.58) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2439791 0.77 MMP1 (0.56) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2440351 0.76 MMP1 (0.65) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2440109 0.76 MMP1 (0.55) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2443580 0.76 MMP1 (0.55) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2437809 0.75 MMP1 (0.56) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2440130 0.75 MMP1 (0.54) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2443796 0.75 MMP1 (0.53) MMP1MMP13MMP9MMP3MMP7

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
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 CN disclosed