SCHEMBL6354475

SCHEMBL6354475

CC(=O)OCC(O)COCC(O)COC(C)=O.Oc1ccc2cc(O)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.38
ADRB1 P08588 4/20 0.38
ADRB3 P13945 4/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.36
MIF P14174 2/20 0.36
MAOB P27338 2/20 0.36
PFKFB3 Q16875 1/20 0.36
MAOA P21397 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
Hydroquinone SCHEMBL6353777 0.89 ADRB2 (0.46) ADRB2ADRB1ADRB3MAPTLMNA
Resorcinol SCHEMBL6358854 0.86 ADRB2 (0.46) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL6359655 0.84 ADRB2 (0.43) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL6352900 0.81 ESR1 (0.44) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL6131221 0.79 TDP1 (0.48) MAPTLMNAPOLBNPSR1HSD17B10
Bisphenol A SCHEMBL6131229 0.79 ESR1 (0.47) ADRB2ADRB1ADRB3LMNAHSD17B10
SCHEMBL18382506 0.78 POLB (0.60) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL7082985 0.78 POLB (0.56) MAPTLMNAPOLBNPSR1CYP1A2
SCHEMBL6350530 0.75 CA1 (0.44) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL6351417 0.75 ADRB2 (0.41) ADRB2ADRB1ADRB3MAPTLMNA

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 7 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-20050165201-A1 Epoxidizing an alpha-halohydrin intermediate from a halide substitution-deesterification of an alpha -hydroxy ester derivative obtained by the coupling reaction of a phenol and a glycidyl ester BORIACK CLINTON J (US) 2005-07-28 US disclosed
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