SCHEMBL3229861

SCHEMBL3229861

CCOC(=O)C(C)COC(=O)Oc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP14 P50281 1/20 0.45
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS2 P35354 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL16702992 0.84 CA2 (0.50) MMP2MMP9MMP8MMP14PTGS2
SCHEMBL12150079 0.81 TDP1 (0.47) MMP8POLBMAPTKMT2A
SCHEMBL15993886 0.78 MAPT (0.45) GAAMAPTKMT2A
SCHEMBL16395052 0.78 GAA (0.61) MMP2MMP9MMP8MMP14GAA
SCHEMBL2294329 0.76 PTGS2 (0.44) MMP2MMP9MMP8MMP14PTGS2
SCHEMBL8613949 0.75 GAA (0.51) MMP2MMP9MMP8MMP14GAA
SCHEMBL8536427 0.73 MMP8 (0.57) MMP2MMP9MMP8MMP14GAA
SCHEMBL3235538 0.73 ABCB11 (0.46) MMP2MMP9MMP8MMP14GAA
SCHEMBL3234259 0.73 MMP2 (0.42) MMP2MMP9MMP8MMP14PTGS2
SCHEMBL16703080 0.73 PTGS2 (0.49) MMP2MMP9MMP8MMP14GAA

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-2010017504-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2010-02-11 WO disclosed
WO-2010017498-A1 METHODS OF SYNTHESIZING N-HYDROXYSUCCINIMIDYL CARBONATES XENOPORT, INC. (US) 2010-02-11 WO disclosed