SCHEMBL5260401

SCHEMBL5260401

CCCCCCCCCCCCCC(=O)OC[C@H]1OC(OC2CC[C@@]3(C)C(=CCC4C3CC[C@@]3(C)C4CC[C@@H]3[C@H](C)CCCC(C)C)C2)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.76
POLB P06746 1/20 0.63
POLA1 P09884 1/20 0.57
CYP46A1 Q9Y6A2 2/20 0.56
PTPN7 P35236 1/20 0.55
DUSP3 P51452 1/20 0.55
USP2 O75604 2/20 0.54
LMNA P02545 1/20 0.54
ABCB1 P08183 1/20 0.54
OSBP P22059 1/20 0.54
RORC P51449 1/20 0.54
OSBP2 Q969R2 1/20 0.54
GBA1 P04062 2/20 0.52
UGCG Q16739 2/20 0.52
GBA2 Q9HCG7 2/20 0.52
PLA2G2A P14555 1/20 0.50
NR1H3 Q13133 3/20 0.49
NPC1L1 Q9UHC9 2/20 0.48
EPHA2 P29317 1/20 0.48

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
SCHEMBL2830883 1.00 DPP4 (0.76) DPP4POLBPOLA1CYP46A1PTPN7
SCHEMBL31701636 1.00 DPP4 (0.76) DPP4POLBPOLA1CYP46A1PTPN7
SCHEMBL9978550 1.00 DPP4 (0.76) DPP4POLBPOLA1CYP46A1PTPN7
SCHEMBL9978568 1.00 DPP4 (0.76) DPP4POLBPOLA1CYP46A1PTPN7
SCHEMBL12207653 1.00 DPP4 (0.76) DPP4POLBPOLA1CYP46A1PTPN7
SCHEMBL2830884 1.00 DPP4 (0.76) DPP4POLBPOLA1CYP46A1PTPN7
SCHEMBL9978647 1.00 DPP4 (0.76) DPP4POLBPOLA1CYP46A1PTPN7
SCHEMBL9978599 1.00 DPP4 (0.76) DPP4POLBPOLA1CYP46A1PTPN7
SCHEMBL2832560 1.00 DPP4 (0.76) DPP4POLBPOLA1CYP46A1PTPN7
SCHEMBL31700942 1.00 DPP4 (0.76) DPP4POLBPOLA1CYP46A1PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1837345-A1 Pharmaceutical compositions comprising cholesteryl-alpha-glucosyltransferase for the treatment of Helicobacteri pylori infections Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2007-09-26 EP disclosed