SCHEMBL6316548

SCHEMBL6316548

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
MMP8 P22894 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PIN1 Q13526 1/20 0.33
PGD P52209 1/20 0.33
CYP2D6 P10635 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6316544 0.85 GAA (0.41) TDP1KMT2AALDH1A1HSD17B10LMNA
SCHEMBL3311455 0.83 ALDH1A1 (0.43) TDP1MEN1KMT2ANPC1MMP8
SCHEMBL9798112 0.83 TDP1 (0.35) TDP1MEN1KMT2ANPC1MMP8
SCHEMBL23295640 0.82 ALDH1A1 (0.39) TDP1MEN1KMT2AMMP8ALDH1A1
SCHEMBL8917497 0.81 ALDH1A1 (0.42) TDP1MEN1KMT2ANPC1MMP8
SCHEMBL6310238 0.79 TDP1 (0.42) TDP1LMNAPGDCYP2D6
SCHEMBL1406252 0.78 ALDH1A1 (0.42) TDP1MEN1KMT2ANPC1MMP8
SCHEMBL3968492 0.76 ALDH1A1 (0.33) TDP1MEN1KMT2AMMP8ALDH1A1
SCHEMBL2318483 0.76 CA2 (0.43) TDP1MEN1KMT2AALDH1A1
SCHEMBL3964874 0.74 POLB (0.33) TDP1MEN1KMT2AMMP8ALDH1A1

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