SCHEMBL13864129

SCHEMBL13864129

CC(C)(CC1CO1)OC(=O)CC(CC(=O)OC(C)(C)CC1CO1)C(=O)OC(C)(C)CC1CO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL13864128 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14473539 0.85 TSHR (0.46) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL14473540 0.83 TSHR (0.37) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL14473467 0.80 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL14473469 0.80 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL13864108 0.78 TSHR (0.41) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL13864130 0.77 MLYCD (0.31) ALDH1A1
SCHEMBL14473383 0.75 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL7778354 0.74 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL3667632 0.71 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4TSHRMAPK1

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