SCHEMBL4445428

SCHEMBL4445428

C[CH]C(C)OC(=O)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRKCA P17252 4/20 0.38
CA2 P00918 1/20 0.37
MIF P14174 1/20 0.36
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL2980552 1.00 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2988923 1.00 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL14073842 0.82 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2982772 0.81
SCHEMBL4436649 0.81
SCHEMBL2984969 0.81
SCHEMBL2978621 0.80 CA1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2988176 0.80 ELANE (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4737399 0.80 ELANE (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4735804 0.80 CA1 (0.41) 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
EP-2125702-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE Xenoport, Inc. (US) 2009-12-02 EP claimed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 WO claimed