SCHEMBL8090692

SCHEMBL8090692

COCCC(COC)OC(=O)CCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 5/20 0.45
MAPT P10636 4/20 0.45
TSHR P16473 2/20 0.44
LPAR6 P43657 1/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR4 Q99677 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
DAGLA Q9Y4D2 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
LMNA P02545 4/20 0.42
RECQL P46063 1/20 0.41
CYP1A2 P05177 3/20 0.41
GMNN O75496 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40

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
SCHEMBL7532789 0.84 MAPK1 (0.59) ALDH1A1MAPK1MAPTTSHRLPAR6
SCHEMBL20825373 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1MAPTTSHRLPAR6
SCHEMBL13764220 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTTSHRLPAR6
SCHEMBL3791600 0.77 LPAR6 (0.42) ALDH1A1MAPK1MAPTTSHRLPAR6
SCHEMBL7052406 0.76 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL270753 0.76 MAPT (0.66) ALDH1A1MAPK1MAPTTSHRPRKCA
SCHEMBL3498540 0.76 RECQL (0.57) ALDH1A1MAPK1MAPTTSHRPRKCA
SCHEMBL15512254 0.75 LMNA (0.49) ALDH1A1MAPK1MAPTTSHRPRKCA
SCHEMBL12138025 0.75 MAPK1 (0.60) ALDH1A1MAPK1MAPTTSHRLPAR6
SCHEMBL15512226 0.75 ALDH1A1 (0.66) ALDH1A1LPAR1LPAR2LPAR3PRKCA

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-0763569-B1 metal complex methin dye KONISHIROKU PHOTO IND (JP) 2000-11-22 EP disclosed