SCHEMBL8029912

SCHEMBL8029912

CCCCOCC(C/C=C/CC(=O)O)CC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 3/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 2/20 0.34
EPHX2 P34913 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
PLA2G10 O15496 1/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL15242342 0.92 MMP9 (0.36) PLA2G2CMMP9MMP8MMP14PPARG
SCHEMBL8039425 0.81 PLA2G2C (0.42) PLA2G2CMMP9MMP8MMP14ATM
SCHEMBL18391957 0.70 HTT (0.45) PPARAALDH1A1CYP3A4CYP2C19KDM4E
Glutaconate SCHEMBL31023345 0.66 HCAR2 (0.50) EPHX2HCAR2ATMALDH1A1ALOX15
SCHEMBL5637940 0.65 ALDH1A1 (0.60) HCAR2ALDH1A1ALOX15CYP2D6CYP2C19
SCHEMBL2427567 0.65 ALDH1A1 (0.60) HCAR2ALDH1A1ALOX15CYP2D6CYP2C19
SCHEMBL10627343 0.65 PLA2G2C (0.51) PLA2G2CMMP9MMP8MMP14PPARG
SCHEMBL21862469 0.65 PLA2G2C (0.51) PLA2G2CMMP9MMP8MMP14PPARG
SCHEMBL15237379 0.65 TSHR (0.36) HCAR2ATMALDH1A1CYP3A4CYP2C19
SCHEMBL27291358 0.64 CA2 (0.48) ATMALDH1A1CYP3A4HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009074605-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2009-06-18 WO disclosed