SCHEMBL13143752

SCHEMBL13143752

COC(C)C(OC(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
TP53 P04637 1/20 0.33
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

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
SCHEMBL12141260 0.86 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1TP53MMP1
SCHEMBL12141284 0.84 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1TP53MMP1
SCHEMBL10592338 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1TP53MMP1
SCHEMBL10592478 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1TP53MMP1
SCHEMBL15325106 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1TP53MMP1
SCHEMBL10591448 0.82 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1TP53MMP1
SCHEMBL607461 0.82 TP53 (0.42) SLC1A3SLC1A2SLC1A1TP53MMP1
SCHEMBL1196679 0.82 TP53 (0.42) SLC1A3SLC1A2SLC1A1TP53MMP1
SCHEMBL1196880 0.82 TP53 (0.42) SLC1A3SLC1A2SLC1A1TP53MMP1
SCHEMBL10591095 0.81 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1TP53MMP1

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
US-7790700-B2 Derivatives of partially desulphated glycosaminoglycans endowed with antiangiogenic activity and devoid of anticoagulating effect SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-07 US disclosed