SCHEMBL6316544

SCHEMBL6316544

CCOC(=O)CC(C(=O)OCC)C(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 7/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP2D6 P10635 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 2/20 0.35
HTT P42858 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6316548 0.85 TDP1 (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL430204 0.83 MGAM (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1061575 0.83 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23295640 0.82 ALDH1A1 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7186530 0.78 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL460011 0.78 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11565070 0.76 ALOX15 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4529653 0.76 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4661806 0.76 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2318483 0.76 CA2 (0.43) ALDH1A1CYP3A4TSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861483-B2 Catalyst modifiers and their use in the polymerization of olefin(s) UNIVATION TECHNOLOGIES, LLC (US) 2005-03-01 US disclosed
US-20040106751-A1 Catalyst modifiers and their use in the polymerization of olefin(s) WENZEL TIMOTHY T (US) 2004-06-03 US disclosed
US-6713573-B2 FOR CONTROLLABLE GENERATION OF ONE OR MORE CATALYST INHIBITORS THAT RENDERS THE POLYMERIZATION CATALYST SUBSTANTIALLY OR COMPLETELY INACTIVE AFTER POLYMERIZATION UNIVATION TECHNOLOGIES, LLC 2004-03-30 US disclosed
US-20020099152-A1 Catalyst modifiers and their use in the polymerization of olefin(s) UNIVATION TECHNOLOGIES, LLC 2002-07-25 US disclosed