SCHEMBL3234259

SCHEMBL3234259

CC(COC(=O)C(C)C)OC(=O)Oc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP14 P50281 3/20 0.42
PTGS2 P35354 5/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ELANE P08246 2/20 0.39
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CA2 P00918 1/20 0.36
MMP8 P22894 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL2294329 0.82 PTGS2 (0.44) MMP2MMP9MMP14PTGS2POLB
SCHEMBL2294327 0.82 PTGS2 (0.44) MMP2MMP9MMP14PTGS2POLB
SCHEMBL16702992 0.81 CA2 (0.50) MMP2MMP9MMP14PTGS2POLB
SCHEMBL3234247 0.80 PTGS2 (0.42) MMP2MMP9MMP14PTGS2POLB
SCHEMBL3239407 0.80 ELANE (0.40) MMP2MMP9MMP14POLBMAPT
SCHEMBL2288260 0.80 PTGS2 (0.45) MMP2MMP9MMP14PTGS2POLB
SCHEMBL2291204 0.75 PTGS2 (0.40) MMP2MMP9MMP14PTGS2POLB
SCHEMBL3274519 0.75 PTGS2 (0.40) MMP2MMP9MMP14PTGS2POLB
SCHEMBL16703079 0.74 PTGS2 (0.48) MMP2MMP9MMP14PTGS2POLB
SCHEMBL25639011 0.74 MTNR1A (0.45) CA2

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