SCHEMBL4082381

SCHEMBL4082381

O=C(NO)C1CNCCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.42
MMP13 P45452 5/20 0.42
MMP9 P14780 4/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
ADAM17 P78536 2/20 0.36
F2 P00734 2/20 0.31
F9 P00740 2/20 0.31
F10 P00742 2/20 0.31
F12 P00748 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
F7 P08709 2/20 0.31
PRSS3 P35030 2/20 0.31

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
SCHEMBL20141818 0.84 F2 (0.33) MMP1MMP13MMP9MMP3MMP7
SCHEMBL954492 0.84 CHRNB2 (0.37) MMP1MMP13MMP9MMP3MMP7
SCHEMBL3272707 0.81 SLC6A1 (0.36)
SCHEMBL15542301 0.81 SLC6A1 (0.36)
SCHEMBL4383814 0.81 SLC6A1 (0.36)
SCHEMBL2922483 0.80 CHRNB2 (0.41) MMP1MMP13MMP9MMP3MMP7
SCHEMBL23827563 0.78 KDM4E (0.37)
SCHEMBL17276241 0.78 SLC6A1 (0.31)
SCHEMBL3785744 0.78 KDM4E (0.37)
SCHEMBL30111027 0.78 KDM4E (0.37)

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-2009052200-A2 HUMAN ADAM-10 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2009-04-23 WO disclosed