SCHEMBL12536634

SCHEMBL12536634

COc1cc(CO)c(CO)cc1C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.48
KMT2A Q03164 3/20 0.48
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
MEN1 O00255 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
SCHEMBL13121228 0.93 ALDH1A1 (0.49) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL12536643 0.90 KMT2A (0.55) NPSR1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL12536657 0.87 KMT2A (0.49) NPSR1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL12536625 0.86 KMT2A (0.48) NPSR1KMT2AALDH1A1MAPTHPGD
SCHEMBL12536640 0.85 POLB (0.49) NPSR1KMT2AALDH1A1MAPTTP53
SCHEMBL9905857 0.85 ALDH1A1 (0.58) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL12536683 0.84 KMT2A (0.47) NPSR1KMT2AALDH1A1MAPTHPGD
SCHEMBL12536633 0.84 KMT2A (0.53) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL12536663 0.83 HPGD (0.46) NPSR1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL12536636 0.83 PDCD1 (0.49) NPSR1KMT2AALDH1A1MAPTTP53

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