SCHEMBL8349338

SCHEMBL8349338

NCCCCC(=O)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.48
MMP2 P08253 7/20 0.48
MMP1 P03956 6/20 0.48
MMP8 P22894 6/20 0.48
MAPT P10636 1/20 0.45
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX7 Q99572 1/20 0.44
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL6569855 0.86 TRPV1 (0.50) MMP9MMP2MMP1MMP8NAMPT
SCHEMBL29338138 0.85 MMP9 (0.53) MMP9MMP2MMP1MMP8NAMPT
SCHEMBL4861084 0.82 MMP9 (0.51) MMP9MMP2MMP1MMP8NAMPT
SCHEMBL4859637 0.82 MMP9 (0.51) MMP9MMP2MMP1MMP8NAMPT
SCHEMBL6418633 0.80 MMP9 (0.51) MMP9MMP2MMP1MMP8MAPT
SCHEMBL6418630 0.80 MMP9 (0.51) MMP9MMP2MMP1MMP8MAPT
SCHEMBL6418631 0.80 MMP9 (0.51) MMP9MMP2MMP1MMP8MAPT
SCHEMBL23343881 0.79 MMP9 (0.56) MMP9MMP2MMP1MMP8NAMPT
SCHEMBL1177439 0.79 MMP9 (0.53) MMP9MMP2MMP1MMP8NAMPT
SCHEMBL4858952 0.79 MMP9 (0.53) MMP9MMP2MMP1MMP8NAMPT

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-2003030886-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC (US) 2003-04-17 WO disclosed