SCHEMBL13864110

SCHEMBL13864110

CC(C)(CCC1CO1)OC(=O)c1ccc(C(=O)OC(C)(C)CCC2CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
TSHR P16473 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARG P37231 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
SCHEMBL284390 0.93 CYP1A2 (0.43) TSHRMAPTKMT2ACYP1A2MEN1
SCHEMBL14473746 0.91 SERPINE1 (0.31) TSHRMAPTKMT2ATP53CYP1A2
SCHEMBL13864117 0.88 SLC7A5 (0.38) TSHRTP53CYP1A2HPGDCYP2D6
SCHEMBL13864119 0.85 TSHR (0.38) TSHRKMT2ATP53MEN1MAPK1
SCHEMBL13864107 0.84 ELANE (0.36) ELANECA12CA1CA2CA9
SCHEMBL13864093 0.82 TSHR (0.39) TSHRMAPTKMT2ATP53CYP1A2
SCHEMBL14473381 0.80 TSHR (0.44) TSHRMAPTKMT2ATP53CYP1A2
SCHEMBL13864111 0.79 TSHR (0.49) TSHRMAPTKMT2ATP53CYP1A2
SCHEMBL13864106 0.78 GAA (0.44) TSHRTP53MAPK1ALDH1A1
SCHEMBL13864969 0.77 ALDH1A1 (0.34) TSHRMAPK1ALDH1A1

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
US-20090137777-A1 Polyepoxy compound, method for producing same, thermosetting resin composition containing same, cured product of such composition, and method for removing such cured product KANSAI PAINT CO., LTD. (JP) 2009-05-28 US disclosed
EP-1803758-A1 POLYEPOXY COMPOUND, METHOD FOR PRODUCING SAME, THERMOSETTING RESIN COMPOSITION CONTAINING SAME, CURED PRODUCT OF SUCH COMPOSITION, AND METHOD FOR REMOVING SUCH CURED PRODUCT KANSAI PAINT CO., LTD. (JP) 2007-07-04 EP disclosed