SCHEMBL6470476

SCHEMBL6470476

C=COC(CC)COC(=O)CCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 3/20 0.41
PRKCA P17252 4/20 0.40
PRKCE Q02156 2/20 0.40
PRKCQ Q04759 2/20 0.40
PRKCD Q05655 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PAM P19021 2/20 0.39
TLR2 O60603 2/20 0.37
MAPT P10636 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL587060 0.91 ALDH1A1 (0.38) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL1564161 0.83 ALDH1A1 (0.33) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL15132814 0.81 ENPP2 (0.50) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL15512198 0.78 ALDH1A1 (0.65) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL14674409 0.77 TSHR (0.48) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL17818648 0.76 TSHR (0.35) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL1564162 0.75 ALDH1A1 (0.34) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL14199966 0.75 ALDH1A1 (0.49) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL14674390 0.74 MAPT (0.51) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL3204345 0.74 PTGS1 (0.34) ALDH1A1TSHRPAMTLR2

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-1593720-A1 FLUORINE-CONTAINING AQUEOUS COATING COMPOSITION Daikin Industries, Ltd. (JP) 2005-11-09 EP disclosed