SCHEMBL15445175

SCHEMBL15445175

CC(=O)c1cc(OC(C)(C)C(=O)O)cc(OC(C)(C)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
PPARG P37231 10/20 0.47
FABP2 P12104 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL15445136 0.86 PPARA (0.52) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL5331403 0.82 MAOB (0.53) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL2560853 0.81 PPARA (0.65) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1793221 0.76 KMT2A (0.49) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL14190690 0.76 PPARA (0.40) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL2096397 0.76 CA5A (0.41) MAPTLMNACA5A
SCHEMBL659617 0.76 PPARA (0.53) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL2666313 0.75 PPARA (0.41) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL3526757 0.74 PPARA (0.67) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL3598533 0.74 PPARA (0.52) PPARAMEN1KMT2ACYP2C19CYP1A2

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
EP-2689847-A1 Methods for catalytic alkylation of nucleic acids Universität Basel (CH) 2014-01-29 EP disclosed