SCHEMBL6579462

SCHEMBL6579462

CCOC(=O)c1ccccc1OC(=O)c1ccccc1C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
PTGS2 P35354 1/20 0.52
NPSR1 Q6W5P4 5/20 0.52
CYP1A2 P05177 4/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 2/20 0.52
ATM Q13315 1/20 0.52
HPGD P15428 2/20 0.49
XBP1 P17861 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
TNF P01375 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALOX12 P18054 1/20 0.47
CCR6 P51684 1/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47
HKDC1 Q2TB90 1/20 0.47

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
SCHEMBL6579460 0.85 TSHR (0.62) TSHRNPSR1CYP1A2CYP2C9ALDH1A1
SCHEMBL5706110 0.81 TSHR (0.66) TSHRNPSR1CYP1A2CYP2C9ATM
SCHEMBL5706005 0.81 TSHR (0.66) TSHRPTGS2NPSR1CYP1A2CYP2C9
SCHEMBL5706131 0.81 TSHR (0.66) TSHRNPSR1ALDH1A1MAPTHSD17B10
SCHEMBL5706067 0.81 TSHR (0.65) TSHRPTGS2NPSR1CYP1A2CYP2C9
SCHEMBL9501331 0.81 TSHR (0.75) TSHRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9394319 0.81 HPGD (0.55) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL5706120 0.80 TSHR (0.54) TSHRPTGS2CYP1A2CYP2C9CYP2C19
SCHEMBL5706101 0.80 TSHR (0.54) TSHRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL28785606 0.79 HPGD (0.53) NPSR1CYP1A2CYP2C9CYP2C19ATM

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-1412411-A2 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2004-04-28 EP disclosed
WO-2003008481-A2 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2003-01-30 WO disclosed