SCHEMBL4737400

SCHEMBL4737400

CCC(C)CC(=O)OC(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
EPHX2 P34913 1/20 0.34
MAPT P10636 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL2988177 1.00 ELANE (0.40) ELANEMMP1MMP2MMP3MMP9
SCHEMBL2990590 1.00 ELANE (0.40) ELANEMMP1MMP2MMP3MMP9
SCHEMBL10550620 0.89 ELANE (0.39) ELANEMMP1MMP2MMP3MMP9
SCHEMBL19821810 0.87 PRKCA (0.37) ELANEMMP1MMP2MMP3MMP9
SCHEMBL4582581 0.85 MMP1 (0.33) ELANEMMP1MMP2MMP3MMP9
SCHEMBL13335489 0.85 ELANE (0.37) ELANEMMP1MMP2MMP3MMP9
SCHEMBL15958785 0.85 CA12 (0.34) ELANEMMP1MMP2MMP3MMP9
SCHEMBL2988925 0.84 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL12224068 0.84 LMNA (0.47) ELANEMMP1MMP2MMP3MMP9
SCHEMBL2692319 0.84 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13

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
US-20180099477-A1 REINFORCED COMPOSITE STRUCTURE AND METHODS OF MAKING THE SAME FOAM SUPPLIES, INC 2018-04-12 US disclosed
WO-2008079387-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-07-03 WO disclosed