SCHEMBL6354541

SCHEMBL6354541

OC(CCl)COCC(O)CCl.Oc1ccc(Cc2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
BACE1 P56817 1/20 0.41
PTPN1 P18031 1/20 0.38
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
IDO1 P14902 2/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
KEAP1 Q14145 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 2/20 0.36

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 SCHEMBL6350929 0.90 AR (0.38) USP2GAAMAPK1HTTRAB9A
SCHEMBL6353330 0.85 ESR1 (0.44) ESR1ESR2CA1CA2CA7
Phenol SCHEMBL28469017 0.81 CA1 (0.46) MAPK1HTTSMN1; SMN2PRMT5WDR77
SCHEMBL6353527 0.78 CYP1A2 (0.42) ESR1ESR2
Bisphenol A SCHEMBL6131220 0.77 AR (0.57) ESR1ESR2HTTADRB2ADRB1
SCHEMBL19677511 0.76 AR (0.55) BACE1MAPK1HTTSMN1; SMN2NPSR1
SCHEMBL19677510 0.76 AR (0.55) BACE1MAPK1HTTSMN1; SMN2NPSR1
Resorcinol SCHEMBL6360863 0.76 CA2 (0.46) GAARAB9AADRB2ADRB1ADRB3
SCHEMBL7086833 0.76 AR (0.55) BACE1MAPK1HTTSMN1; SMN2NPSR1
SCHEMBL6352900 0.75 ESR1 (0.44) ESR1ESR2BACE1PTPN1NPSR1

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