SCHEMBL8451966

SCHEMBL8451966

CCCCCCCCC=CC(C)C=CCC=CCCCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
PPARG P37231 5/20 0.73
PPARD Q03181 4/20 0.73
PPARA Q07869 4/20 0.73
KDM4E B2RXH2 2/20 0.73
LMNA P02545 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP19A1 P11511 2/20 0.73
FABP4 P15090 2/20 0.73
HPGD P15428 2/20 0.73
ALOX15 P16050 2/20 0.73
NR4A2 P43354 2/20 0.73
HSD17B10 Q99714 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
AKR1C3 P42330 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
MEN1 O00255 1/20 0.73
USP2 O75604 1/20 0.73
TP53 P04637 1/20 0.73
MAPT P10636 1/20 0.73

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
SCHEMBL11082528 1.00 ALDH1A1 (0.73) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL11082534 1.00 ALDH1A1 (0.73) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL11082531 1.00 ALDH1A1 (0.73) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL11097898 1.00 ALDH1A1 (0.73) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL8451963 1.00 ALDH1A1 (0.73) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL11088600 0.98 PPARG (0.76) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL31076262 0.98 PPARG (0.76) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL11088593 0.98 PPARG (0.76) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL11088602 0.98 PPARG (0.76) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL8446992 0.92 TOP1 (0.71) ALDH1A1PPARGPPARDPPARAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4432906-A ANTIALLERGENS, BRONCHODILATOR HOFFMANN-LA ROCHE INC. (US) 1984-02-21 US claimed
US-5861433-A COMPRISING AN OMEGA 9 SERIES UNSATURATED FATTY ACID SUCH AS 6,9-OCTADECADIENOIC ACID, 8,11-EICOSADIENOIC ACID, 5,8,11-EICOSATRIENOIC ACID SUNTORY LIMITED (JP) 1999-01-19 US disclosed
US-5834512-A ADMINISTERING 6,9-OCTADECADIENOIC ACID, 8,11-EICOSADIENOIC ACID AND/OR 5,8,11-EICOSATRIENOIC ACID SUNTORY LIMITED (JP) 1998-11-10 US disclosed
EP-0635266-A1 Composition comprising an omega 9 series unsaturated fatty acid in the treatment of medical symptions caused by leucotriene B4 SUNTORY LIMITED (JP) 1995-01-25 EP disclosed