SCHEMBL9769157

SCHEMBL9769157

[CH2]c1coc(CCCCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
PTGS2 P35354 4/20 0.37
PPARA Q07869 1/20 0.36
ELANE P08246 3/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
TYR P14679 1/20 0.33

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
SCHEMBL9769164 0.78 MAPT (0.44) MAPTPTGS2PPARAELANECYP3A4
SCHEMBL3923663 0.76 MAPT (0.41) MAPTPTGS2PPARAELANECYP3A4
SCHEMBL9507890 0.73 HIF1A (0.39) MAPTPPARAELANE
SCHEMBL22342732 0.73 HIF1A (0.39) MAPTPPARAELANE
SCHEMBL11407867 0.72 PPARA (0.41) PTGS2PPARAELANECYP3A4ALOX5
SCHEMBL30982893 0.72 TYR (0.64) ELANETYR
SCHEMBL10494222 0.69 TYR (0.43) MAPTELANETYR
SCHEMBL18067893 0.69 PTGS2 (0.46) PTGS2CYP3A4PTGS1
SCHEMBL11405473 0.69 PPARA (0.39) PTGS2PPARAELANECYP3A4ALOX5
SCHEMBL2911934 0.69 L3MBTL1 (0.47) MAPTPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992534-A Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-12 US disclosed
CN-1031536-A 2 '-'-Deoxy-5-fluorouridine derivatives and its production and application OTSUKA PHARMA CO LTD (JP) 1989-03-08 CN disclosed
EP-0303269-A2 2'-Deoxy-5-fluorouridine derivatives, process for preparing the same and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-02-15 EP disclosed