SCHEMBL3658827

SCHEMBL3658827

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(C)OCCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPT P10636 3/20 0.64
FAAH O00519 3/20 0.64
CNR2 P34972 3/20 0.64
HPGD P15428 2/20 0.64
MGLL Q99685 1/20 0.58
THRB P10828 1/20 0.57
PPARG P37231 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
CYP19A1 P11511 1/20 0.53
FABP4 P15090 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL3658753 0.96 ALDH1A1 (0.59) CNR1ALDH1A1MAPTFAAHCNR2
SCHEMBL15987365 0.92 PRKCA (0.56) CNR1ALDH1A1MAPTFAAHCNR2
SCHEMBL2542013 0.92 PRKCA (0.56) CNR1ALDH1A1MAPTFAAHCNR2
SCHEMBL3654260 0.92 PRKCA (0.56) CNR1ALDH1A1MAPTFAAHCNR2
SCHEMBL668516 0.92 PRKCA (0.56) CNR1ALDH1A1MAPTFAAHCNR2
SCHEMBL3653961 0.91 ALDH1A1 (0.57) CNR1ALDH1A1MAPTFAAHCNR2
SCHEMBL19519422 0.87 MAPT (0.47) CNR1ALDH1A1MAPTFAAHCNR2
SCHEMBL3661566 0.86 CNR1 (0.68) CNR1ALDH1A1MAPTFAAHCNR2
SCHEMBL3659999 0.85 CNR1 (0.63) CNR1ALDH1A1MAPTFAAHCNR2
SCHEMBL3662838 0.84 CNR1 (0.66) CNR1ALDH1A1MAPTFAAHCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8425784-B2 Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2013-04-23 US claimed
EP-2209547-B1 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS UNIV KANSAS (US) 2018-06-20 EP disclosed
US-8801939-B2 Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2014-08-12 US disclosed
US-20130240781-A1 Ozonolysis Reactions in Liquid CO2 and CO2-Expanded Solvents ARCHER DANIELS MIDLAND COMPANY (US) 2013-09-19 US disclosed
US-8425784-B2 Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2013-04-23 US disclosed
EP-2209547-A2 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS University Of Kansas (US) 2010-07-28 EP disclosed
WO-2009061806-A2 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS UNIVERSITY OF KANSAS (US) 2009-05-14 WO disclosed
US-20090118498-A1 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS ARCHER DANIELS MIDLAND COMPANY 2009-05-07 US disclosed
US-4364743-A ESTER AND MIDDLE OIL ERNER WILLIAM E 1982-12-21 US disclosed