SCHEMBL5800570

SCHEMBL5800570

O=C([N]C(=O)N1CCOCC1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA9 Q16790 2/20 0.54
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
KMT2A Q03164 1/20 0.52
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP8 P22894 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.45
CA2 P00918 1/20 0.44
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 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
SCHEMBL734044 0.86 SMN1; SMN2 (0.52) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL734045 0.86 SMN1; SMN2 (0.52) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL23962341 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL967471 0.82 SMN1; SMN2 (0.54) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL968486 0.77 HTT (0.50) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL8392707 0.77 SMN1; SMN2 (0.48) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL24059132 0.77 MMP1 (0.45) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL8391822 0.77 SMN1; SMN2 (0.48) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL5824896 0.77 CA12 (0.43) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL786679 0.77 SMN1; SMN2 (0.59) SMN1; SMN2CA12CA1CA9MEN1

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-2006044133-A1 ACTIVE KETONE INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-04-27 WO disclosed