SCHEMBL6573233

SCHEMBL6573233

C=C(C)C(=O)N(CC(=O)OCC)CC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 6/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.37
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 3/20 0.34
F2 P00734 1/20 0.34
KLK1 P06870 1/20 0.34
PRSS1 P07477 1/20 0.34
ALOX15 P16050 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
SCHEMBL4690633 0.79 GAA (0.50) GAAMGAMSIMGAM2CA12
SCHEMBL3895048 0.78 TDP1 (0.35) ALDH1A1TRPA1HSD17B10CYP1A2
SCHEMBL4690630 0.77 CA12 (0.48) GAAMGAMSIMGAM2CA12
SCHEMBL27436331 0.76 CA12 (0.48) GAAMGAMSIMGAM2CA12
SCHEMBL14070734 0.75 LMNA (0.34) LMNATSHR
SCHEMBL11617498 0.75 CYP1A2 (0.37) ALDH1A1HSD17B10CYP1A2TSHR
SCHEMBL1142673 0.75 THRB (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14281116 0.75 CA12 (0.47) GAAMGAMSIMGAM2CA12
SCHEMBL10042520 0.74 GAA (0.50) GAAMGAMSIMGAM2CA12
SCHEMBL3496974 0.73 CA12 (0.46) GAAMGAMSIMGAM2CA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266941-A1 Biomedical molding materials from semi-solid precursors ZMS, L.L.C. 2004-12-30 US disclosed
EP-1407297-A1 BIOMEDICAL MOLDING MATERIALS FROM SEMI-SOLID PRECURSORS ZMS, LLC (US) 2004-04-14 EP disclosed
US-20030020870-A1 Biomedical molding materials from semi-solid precursors ZMS, LLC 2003-01-30 US disclosed
WO-2003003073-A1 BIOMEDICAL MOLDING MATERIALS FROM SEMI-SOLID PRECURSORS ZMS, LLC (US) 2003-01-09 WO disclosed
US-20020045706-A1 Biomedical molding materials from semi-solid precursors ZMS, LLC 2002-04-18 US disclosed