SCHEMBL4555844

SCHEMBL4555844

CCCCCCCCCCCCCCCCOC[C@@H](COCc1ccccc1)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TLR2 O60603 1/20 0.47
CNR2 P34972 4/20 0.47
CNR1 P21554 2/20 0.47
PTPN1 P18031 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46

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
SCHEMBL13058720 1.00 ALDH1A1 (0.52) ALDH1A1LMNARECQLMAPTMAPK1
SCHEMBL18605548 0.95 ALDH1A1 (0.57) ALDH1A1LMNAMAPTMAPK1TLR2
SCHEMBL18528319 0.95 ALDH1A1 (0.57) ALDH1A1LMNAMAPTMAPK1TLR2
SCHEMBL2517104 0.93 PRKCA (0.52) ALDH1A1LMNAMAPTCNR2CNR1
SCHEMBL18970826 0.93 ALDH1A1 (0.52) ALDH1A1LMNAMAPTMAPK1TLR2
SCHEMBL23668333 0.90 ALDH1A1 (0.68) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL25474533 0.90 ALDH1A1 (0.68) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL20714687 0.90 ALDH1A1 (0.68) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL25474578 0.90 ALDH1A1 (0.68) ALDH1A1LMNATLR2PRKCAPRKCE
SCHEMBL1117789 0.90 ALDH1A1 (0.68) ALDH1A1LMNATLR2PRKCAPRKCE

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
EP-2114979-A2 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES Industrial Research Limited (NZ) 2009-11-11 EP disclosed
WO-2008075983-A2 ANALOGUES OF PHOSPHATIDYLINOSITOL MANNOSIDES INDUSTRIAL RESEARCH LIMITED (NZ) 2008-06-26 WO disclosed