SCHEMBL6685772

SCHEMBL6685772

CC(=O)OCC(O)Cn1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
USP2 O75604 4/20 0.33
MAPT P10636 4/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CASP3 P42574 1/20 0.32
CASP8 Q14790 1/20 0.32
LGMN Q99538 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP2C9 P11712 1/20 0.31
LMNA P02545 2/20 0.31
DUT P33316 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL27800402 0.75 GRIN1 (0.41) MAPTKMT2AMEN1
SCHEMBL21625766 0.74 TSHR (0.38) ALDH1A1TDP1
SCHEMBL13413739 0.73 MMP9 (0.36) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL29063539 0.72 CHRM1 (0.36)
SCHEMBL6685767 0.71 ALDH1A1 (0.36) ALDH1A1MAPTHPGDTP53KDM4E
SCHEMBL10830627 0.71 KDM4E (0.38) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL25572319 0.71 LMNA (0.39) ALDH1A1USP2MAPTCYP3A4KMT2A
SCHEMBL109469 0.70 APEX1 (0.33)
SCHEMBL304203 0.70 TDP1 (0.54) ALDH1A1USP2MAPTCYP3A4MAPK1
SCHEMBL11698657 0.69 TYMP (0.30)

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-1477309-A2 Lithographic printing plate precursor requiring no fountain solution FUJI PHOTO FILM CO., LTD. (JP) 2004-11-17 EP disclosed