SCHEMBL7084425

SCHEMBL7084425

CC(=O)OCC(O)COc1ccc(C(c2ccc(OCC(O)COC(C)=O)cc2)c2ccc(OCC(O)COC(C)=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
POLB P06746 2/20 0.58
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 2/20 0.51
ALDH1A1 P00352 2/20 0.44
PLA2G4B P0C869 1/20 0.43
KMT2A Q03164 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
AR P10275 1/20 0.42
ABCB1 P08183 2/20 0.42

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
SCHEMBL7082811 0.92 MAPT (0.68) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL7088132 0.90 MAPT (0.58) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL13793485 0.89 MAPT (0.57) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL7090368 0.87 MAPT (0.62) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL18382506 0.85 POLB (0.60) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL819038 0.85 POLB (0.53) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL7083240 0.84 LMNA (0.58) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL6351413 0.83 MAPT (0.57) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL7082985 0.82 POLB (0.56) MAPTPOLBLMNANPSR1SMN1; SMN2
SCHEMBL6131228 0.81 AR (0.62) MAPTPOLBLMNANPSR1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US claimed
US-6534621-B2 Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative DOW GLOBAL TECHNOLOGIES INC. 2003-03-18 US claimed
US-20020045707-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2002-04-18 US claimed
US-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US disclosed
US-6534621-B2 Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative DOW GLOBAL TECHNOLOGIES INC. 2003-03-18 US disclosed
US-20020045707-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2002-04-18 US disclosed