SCHEMBL8224489

SCHEMBL8224489

CCCCC(C)OC(C)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FAAH O00519 5/20 0.35
DNM1 Q05193 2/20 0.35
FDPS P14324 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SMPD1 P17405 2/20 0.33
OPRM1 P35372 1/20 0.33
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33
GAPDH P04406 1/20 0.33
MAPT P10636 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
SCHEMBL32682837 0.91 SPHK1 (0.48) SPHK1FAAHCNR1CNR2SMPD1
SCHEMBL4440508 0.84
SCHEMBL635647 0.84 DNM1 (0.41) ALDH1A1FAAHDNM1FDPSCA1
Propylene Glycol SCHEMBL7941773 0.81 TDP1 (0.46) SPHK1ALDH1A1FAAHCA1CA2
Ethylene Glycol SCHEMBL25302907 0.80 ALDH1A1 (0.41) ALDH1A1FAAHDNM1FDPSCA1
SCHEMBL2099612 0.80 OPRM1 (0.44) SPHK1ALDH1A1FAAHDNM1CA1
SCHEMBL15299174 0.79 DNM1 (0.38) ALDH1A1FAAHDNM1FDPSCA1
SCHEMBL3263688 0.76 ALDH1A1 (0.43) SPHK1ALDH1A1DNM1FDPSCA1
SCHEMBL16268114 0.76 ALDH1A1 (0.43) SPHK1ALDH1A1FAAHDNM1FDPS
SCHEMBL7198538 0.76 SPHK1 (0.43) SPHK1ALDH1A1DNM1FDPSCA1

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
US-6085842-A Method of treating an underground formation SHELL OIL COMPANY (US) 2000-07-11 US disclosed