SCHEMBL3660086

SCHEMBL3660086

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CC)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CYP3A4 P08684 2/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
TSHR P16473 1/20 0.63
NR1I2 O75469 2/20 0.55
PTGS2 P35354 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
PGR P06401 1/20 0.55
PDE4D Q08499 1/20 0.55
MAPT P10636 3/20 0.54
F7 P08709 3/20 0.54
F3 P13726 3/20 0.54
CYP19A1 P11511 3/20 0.54
HPGD P15428 2/20 0.54
OXER1 Q8TDS5 2/20 0.54
PTGS1 P23219 2/20 0.54
PPARG P37231 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL3656510 0.92 ALDH1A1 (0.59) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3663403 0.88 ALDH1A1 (0.56) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3660334 0.88 CNR1 (0.64) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3661984 0.88 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3657897 0.87 PRKCA (0.56) ALDH1A1ALOX15HSD17B10ADORA3PGR
SCHEMBL3657888 0.87 PRKCA (0.56) ALDH1A1ALOX15HSD17B10ADORA3PGR
SCHEMBL3660910 0.87 PRKCA (0.56) ALDH1A1ALOX15HSD17B10ADORA3PGR
SCHEMBL3662001 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3661996 0.83 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3661757 0.82 ALDH1A1 (0.64) ALDH1A1CYP3A4ALOX15HSD17B10TDP1

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