SCHEMBL3713532

SCHEMBL3713532

CCC(ON1C(=O)c2ccccc2C1=O)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
VDR P11473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
F2 P00734 1/20 0.44
CASP3 P42574 1/20 0.42
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
TNF P01375 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4869158 0.85 GAA (0.47) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL15581867 0.83 GAA (0.46) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL4874091 0.83 GAA (0.46) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL9696005 0.79 GAA (0.42) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL16234615 0.78 GAA (0.44) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL2078111 0.78 KMT2A (0.49) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL29355696 0.78 ALDH1A1 (0.46) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL3485808 0.75 GAA (0.42) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL22721297 0.75 GAA (0.42) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL27865837 0.75 L3MBTL1 (0.44) GAAALDH1A1MAPTKDM4EKMT2A

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-2398822-A1 MODIFICATION OF FACTOR VIII Novo Nordisk A/S (DK) 2011-12-28 EP disclosed
WO-2010102886-A1 MODIFICATION OF FACTOR VIII NOVO NORDISK A/S (DK) 2010-09-16 WO disclosed