SCHEMBL8016499

SCHEMBL8016499

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)NCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
DNM1 Q05193 2/20 0.54
PRKCA P17252 3/20 0.53
PRKCE Q02156 1/20 0.53
PRKCQ Q04759 1/20 0.53
PRKCD Q05655 1/20 0.53
LPAR3 Q9UBY5 6/20 0.51
LPAR1 Q92633 3/20 0.51
ENPP2 Q13822 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LPAR2 Q9HBW0 2/20 0.50
NAPEPLD Q6IQ20 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL8004037 1.00 ALDH1A1 (0.61) ALDH1A1LMNADNM1PRKCAPRKCE
SCHEMBL8004524 1.00 ALDH1A1 (0.61) ALDH1A1LMNADNM1PRKCAPRKCE
SCHEMBL8014013 0.93 PRKCA (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL8014014 0.93 PRKCA (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL8017931 0.93 PRKCA (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL8017934 0.93 PRKCA (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL8014172 0.93 ALDH1A1 (0.66) ALDH1A1LMNADNM1PRKCAPRKCE
SCHEMBL8021298 0.93 ALDH1A1 (0.66) ALDH1A1LMNADNM1PRKCAPRKCE
SCHEMBL8018334 0.93 ALDH1A1 (0.66) ALDH1A1LMNADNM1PRKCAPRKCE
SCHEMBL8016768 0.89 ALDH1A1 (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685234-B1 DRUG COMPOSITION CONTAINING NUCLEIC ACID COPOLYMER NIPPON SHINYAKU CO LTD (JP) 2000-05-10 EP disclosed
US-6020317-A Glycerol derivative, device and pharmaceutical composition NIPPON SHINYAKU CO. LTD. (JP) 2000-02-01 US disclosed
EP-0685457-B1 GLYCEROL DERIVATIVE, DEVICE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 1999-12-15 EP disclosed
US-5705188-A LIPID MIXTURE, ANTITUMOR AGENTS NIPPON SHINYAKU COMPANY, LTD. (JP) 1998-01-06 US disclosed
EP-0685457-A1 GLYCEROL DERIVATIVE, DEVICE AND PHARMACEUTICAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-12-06 EP disclosed
EP-0685234-A1 DRUG COMPOSITION CONTAINING NUCLEIC ACID COPOLYMER NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-12-06 EP disclosed