SCHEMBL3262667

SCHEMBL3262667

CC(C)(C)C(=O)OCCCOC(=O)Oc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.50
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
GPR119 Q8TDV5 7/20 0.40
PTGS2 P35354 2/20 0.39
PRTN3 P24158 2/20 0.38

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
SCHEMBL16703080 0.79 PTGS2 (0.49) MMP2MMP9MMP14PTGS2
SCHEMBL2294329 0.76 PTGS2 (0.44) ELANEMMP2MMP9MMP14PTGS2
SCHEMBL7759652 0.74 HTR2A (0.53) ELANE
SCHEMBL9352386 0.73 ELANE (0.62) ELANEGPR119PTGS2
SCHEMBL3235538 0.73 ABCB11 (0.46) ELANEMMP2MMP9MMP14PTGS2
SCHEMBL16702992 0.73 CA2 (0.50) ELANEMMP2MMP9MMP14PTGS2
SCHEMBL2291204 0.72 PTGS2 (0.40) MMP2MMP9MMP14PTGS2
SCHEMBL8958816 0.71 MMP2 (0.50) ELANEMMP2MMP9MMP14
SCHEMBL8958823 0.71 MMP2 (0.50) ELANEMMP2MMP9MMP14
SCHEMBL3235550 0.71 ELANE (0.44) ELANEMMP2MMP9MMP14PTGS2

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-2010017498-A1 METHODS OF SYNTHESIZING N-HYDROXYSUCCINIMIDYL CARBONATES XENOPORT, INC. (US) 2010-02-11 WO disclosed