SCHEMBL6353330

SCHEMBL6353330

OC(CCl)COCC(O)CCl.Oc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
MMP3 P08254 2/20 0.38
BCL2L1 Q07817 1/20 0.38
PDPK1 O15530 1/20 0.37
ABL1 P00519 2/20 0.37
ABCB1 P08183 2/20 0.37
BCR P11274 2/20 0.37
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AR P10275 1/20 0.35
ALOX5 P09917 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34

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 0.94 AR (0.38) CYP3A4MEN1KMT2AARCA1
SCHEMBL6354541 0.85 ESR1 (0.52) ESR1ESR2KMT2ACA1CA2
Phenol SCHEMBL28469017 0.84 CA1 (0.46) ARCA1CA2CA7CA9
SCHEMBL6353527 0.81 CYP1A2 (0.42) ESR1ESR2ABL1ABCB1BCR
Bisphenol A SCHEMBL6131220 0.80 AR (0.57) ESR1ESR2CYP3A4KMT2AAR
Resorcinol SCHEMBL6360863 0.78 CA2 (0.46) CYP3A4CA1CA2CA7CA9
SCHEMBL202567 0.78 CA1 (0.45) ARCA1CA2CA7CA9
SCHEMBL11256374 0.76 PTGS1 (0.57) ARPTGS1SLC6A2
SCHEMBL11256369 0.76 PTGS1 (0.57) ARPTGS1SLC6A2
SCHEMBL19951506 0.75 CA1 (0.43) ARCA1CA2CA7CA9

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-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