SCHEMBL902865

SCHEMBL902865

COC(=O)c1cc(OC)cc(OC)c1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 8/20 0.47
POLB P06746 3/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL205044 0.81 KDM4E (0.50) GAAALDH1A1HTTKDM4EPOLB
SCHEMBL6945356 0.80 GAA (0.50) GAAALDH1A1HTTKDM4EPOLB
SCHEMBL24379065 0.80 GAA (0.54) GAAALDH1A1HTTKDM4EPOLB
SCHEMBL644055 0.80 KDM4E (0.57) GAAALDH1A1HTTKDM4EPOLB
SCHEMBL31347582 0.80 GAA (0.50) GAAALDH1A1HTTKDM4EPOLB
SCHEMBL3970999 0.79 GAA (0.50) GAAALDH1A1HTTKDM4EPOLB
SCHEMBL11156433 0.79 KDM4E (0.60) GAAALDH1A1HTTKDM4EPOLB
SCHEMBL204076 0.79 GAA (0.48) GAAALDH1A1HTTKDM4EPOLB
SCHEMBL1822622 0.79 GAA (0.48) GAAALDH1A1HTTKDM4EPOLB
SCHEMBL8750267 0.79 GAA (0.48) GAAALDH1A1HTTKDM4EPOLB

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-2012042482-A1 PROCESS FOR THE SYNTHESIS OF FUNICONE ANALOGUES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2012-04-05 WO disclosed