SCHEMBL12536636

SCHEMBL12536636

COc1cc(CO)c(CO)cc1C(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 9/20 0.49
CD274 Q9NZQ7 9/20 0.49
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 3/20 0.46
ALDH1A1 P00352 1/20 0.45
BACE1 P56817 1/20 0.45
THRB P10828 1/20 0.45
EGFR P00533 1/20 0.44

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
SCHEMBL13121212 0.93 PDCD1 (0.51) PDCD1CD274MAPTTDP1HPGD
SCHEMBL12536640 0.92 POLB (0.49) PDCD1CD274MAPTTDP1HPGD
SCHEMBL12536663 0.89 HPGD (0.46) PDCD1CD274MAPTHPGDXBP1
SCHEMBL12536643 0.87 KMT2A (0.55) MAPTTDP1HPGDXBP1NPSR1
SCHEMBL9905844 0.86 ALDH1A1 (0.56) MAPTTDP1HPGDXBP1NPSR1
SCHEMBL12536786 0.85 ALDH1A1 (0.46) PDCD1CD274MAPTTDP1HPGD
SCHEMBL17431105 0.85 KMT2A (0.48) MAPTTDP1HPGDKMT2ATP53
SCHEMBL12536657 0.85 KMT2A (0.49) PDCD1CD274MAPTTDP1HPGD
SCHEMBL12634338 0.85 POLB (0.48) PDCD1CD274MAPTTDP1HPGD
SCHEMBL12536685 0.84 KMT2A (0.50) PDCD1CD274MAPTHPGDXBP1

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
US-20110128478-A1 POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND METHOD OF MANUFACTURING PROTECTIVE FILM FOR POLARIZING PLATE KONICA MINOLTA OPTO, INC. (JP) 2011-06-02 US disclosed