SCHEMBL5086331

SCHEMBL5086331

CCCCCCCCCC(=O)Oc1cc(OC(=O)CCCCCCCCC)c2c(c1)OC(c1ccc(OC(=O)CCCCCCCCC)c(OC(=O)CCCCCCCCC)c1)C(OC(=O)CCCCCCCCC)C2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
ABCB1 P08183 12/20 0.49
XDH P47989 1/20 0.49
STING1 Q86WV6 2/20 0.43
F10 P00742 3/20 0.42

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
SCHEMBL5086354 1.00 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL5086350 0.93 XDH (0.54) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL22076367 0.93 ALDH1A1 (0.67) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL22076369 0.93 ALDH1A1 (0.67) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL13099988 0.91 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL5095081 0.89 MAPK1 (0.52) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL22141103 0.88 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL13856508 0.88 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL13099987 0.88 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL13856512 0.88 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1

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-20080058409-A1 Esterified Catechins, Processes for Producing the Same, and Foods and Beverages as well as Cosmetics Containing Such Esterified Catechins SUNTORY HOLDINGS LIMITED (JP) 2008-03-06 US disclosed
EP-1849779-A1 ESTERIFIED CATECHIN, PROCESS FOR PRODUCING THE SAME, FOOD AND DRINK OR COSMETIC CONTAINING THE SAME SUNTORY LIMITED (JP) 2007-10-31 EP disclosed