SCHEMBL7084126

SCHEMBL7084126

CC(=O)OC(CO)COc1ccc(Cc2ccc(OCC(CO)OC(C)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
AR P10275 1/20 0.47
MAPT P10636 3/20 0.42
POLB P06746 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRB P10828 1/20 0.39
PRKCA P17252 2/20 0.39
ELANE P08246 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ACACB O00763 2/20 0.37

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
SCHEMBL7083251 0.92 CYP2C9 (0.56) CYP2C9TSHRARMAPTPOLB
SCHEMBL7089095 0.87 CYP2C9 (0.51) CYP2C9TSHRARMAPTPOLB
SCHEMBL7089684 0.84 CYP2C9 (0.49) CYP2C9TSHRARMAPTPOLB
SCHEMBL7157490 0.84 CYP2C9 (0.49) CYP2C9TSHRARMAPTPOLB
SCHEMBL8611902 0.84 POLB (0.56) CYP2C9TSHRARMAPTPOLB
SCHEMBL7087258 0.83 CYP2C9 (0.46) CYP2C9TSHRARMAPTPOLB
SCHEMBL14174322 0.81 AR (0.45) ARMAPTPOLBKMT2ALMNA
SCHEMBL7084121 0.80 ESR1 (0.42) KMT2ATHRBPRKCAELANE
SCHEMBL11665607 0.80 MAPT (0.49) MAPTPOLBKMT2A
SCHEMBL7088180 0.79 POLB (0.52) CYP2C9TSHRARMAPTPOLB

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 3 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