SCHEMBL2595578

SCHEMBL2595578

CCCCCC/C=C/C/C=C(\C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.59
PPARD Q03181 6/20 0.59
PPARA Q07869 6/20 0.59
ALDH1A1 P00352 5/20 0.59
F7 P08709 5/20 0.59
F3 P13726 5/20 0.59
FABP4 P15090 4/20 0.59
HSD17B10 Q99714 4/20 0.59
FFAR1 O14842 3/20 0.59
LMNA P02545 3/20 0.59
CYP19A1 P11511 3/20 0.59
ALOX15 P16050 3/20 0.59
PTGS1 P23219 3/20 0.59
NR4A2 P43354 3/20 0.59
KDM4E B2RXH2 2/20 0.59
CYP3A4 P08684 2/20 0.59
HPGD P15428 2/20 0.59
AKR1C3 P42330 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
DUSP3 P51452 2/20 0.59

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
SCHEMBL2595580 1.00 PPARG (0.59) PPARGPPARDPPARAALDH1A1F7
SCHEMBL12630610 0.91 ALDH1A1 (0.62) PPARGPPARDPPARAALDH1A1F7
SCHEMBL1404387 0.91 ALDH1A1 (0.62) PPARGPPARDPPARAALDH1A1F7
SCHEMBL9102998 0.89 EP300 (0.60) PPARGPPARDPPARAF7F3
SCHEMBL17457560 0.89 EP300 (0.60) PPARGPPARDPPARAF7F3
SCHEMBL25188039 0.89 EP300 (0.60) PPARGPPARDPPARAF7F3
SCHEMBL3949965 0.89 EP300 (0.60) PPARGPPARDPPARAF7F3
SCHEMBL10822923 0.89 EP300 (0.60) PPARGPPARDPPARAF7F3
SCHEMBL538416 0.89 EP300 (0.60) PPARGPPARDPPARAF7F3
SCHEMBL538415 0.89 EP300 (0.60) PPARGPPARDPPARAF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569273-A1 NOVEL ANTIMICROBIAL COMPOUNDS AND USES THEREOF Agency For Science, Technology And Research (SG) 2013-03-20 EP disclosed
WO-2011142724-A1 NOVEL ANTIMICROBIAL COMPOUNDS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-11-17 WO disclosed