SCHEMBL4755941

SCHEMBL4755941

CC(C)CC(=O)OCCOC(=O)NC1(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 3/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
PTPN1 P18031 1/20 0.31
GLA P06280 1/20 0.31
DDX3X O00571 1/20 0.31
EP300 Q09472 1/20 0.30
HIF1A Q16665 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL18190864 0.79 SLC18A2 (0.40) SLC18A2
SCHEMBL3098440 0.79 MMP1 (0.40) SLC18A2MMP1MMP2MMP3MMP9
SCHEMBL3090188 0.75 DGKA (0.58)
SCHEMBL2722735 0.74 EPHX1 (0.44)
SCHEMBL18378814 0.74 MMP1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL11197335 0.73 GAA (0.38)
SCHEMBL20758478 0.73 CTSL (0.33) SLC18A2
SCHEMBL3094860 0.73 SLC18A2 (0.34) SLC18A2
SCHEMBL3100604 0.72 ALDH1A1 (0.47)
SCHEMBL5674430 0.72 SLC18A2 (0.42) SLC18A2

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-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 WO claimed
WO-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 WO disclosed