SCHEMBL5690286

SCHEMBL5690286

C=CC(COC(=O)CCC)OC(=O)CCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.43
PRKCA P17252 2/20 0.42
PRKCE Q02156 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKCD Q05655 2/20 0.42
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
DGKA P23743 1/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL7591537 0.89 LMNA (0.56) LMNAALDH1A1MAPTPRKCAPRKCE
SCHEMBL5689906 0.81 TSHR (0.35) LMNAALDH1A1MAPTPRKCAPRKCE
Tributyrin SCHEMBL28126155 0.80 ALDH1A1 (0.62) LMNAALDH1A1PRKCAPRKCEPRKCQ
SCHEMBL17748850 0.80 ALDH1A1 (0.35) LMNAALDH1A1MAPTPRKCAPRKCE
SCHEMBL27476094 0.80 ALDH1A1 (0.41) LMNAALDH1A1MAPTPRKCAPRKCE
SCHEMBL1171644 0.79 LMNA (0.44) LMNAALDH1A1MAPTPRKCAPRKCE
SCHEMBL5592427 0.79 LMNA (0.44) LMNAALDH1A1MAPTPRKCAPRKCE
SCHEMBL18894518 0.79 ALDH1A1 (0.44) LMNAALDH1A1MAPTPRKCAPRKCE
SCHEMBL8744238 0.77 ALDH1A1 (0.36) LMNAALDH1A1MAPTTSHR
SCHEMBL8010790 0.77 ALDH1A1 (0.49) LMNAALDH1A1MAPTPRKCAPRKCE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4544767-A HYDROGENATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1985-10-01 US claimed
EP-1631645-A1 FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2006-03-08 EP disclosed
WO-2004106470-A1 FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 WO disclosed
EP-0612720-B1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL CO (JP) 1997-01-08 EP disclosed
US-5463103-A Reacting butene derivative with hydrogen cyanide in presence of catalyst prepared from cuprous halide, lower alkylamine hydrohalide and Lewis acid or basic acetate, carbonate or bicarbonate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-10-31 US disclosed
EP-0612720-A1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-31 EP disclosed
US-4544767-A HYDROGENATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1985-10-01 US disclosed