SCHEMBL6359063

SCHEMBL6359063

O=C(OC(C1CCCCC1)C1CO1)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EPHX1 P07099 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
CTSK P43235 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6358862 1.00 CES2 (0.34) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6354320 0.81 TSHR (0.36) EPHX1LMNATSHRKMT2A
SCHEMBL6353612 0.77 SMN1; SMN2 (0.39) CES2CES1SMN1; SMN2LMNACHRM2
SCHEMBL6352698 0.77 ALDH1A1 (0.34) EPHX1LMNACHRM2CHRM4CHRM1
SCHEMBL6358029 0.75 SMN1; SMN2 (0.37) CES2CES1SMN1; SMN2LMNACHRM2
SCHEMBL6354274 0.74 NAAA (0.36) SMN1; SMN2LMNATSHR
SCHEMBL8044177 0.73 EPHX1 (0.31) EPHX1
SCHEMBL2833467 0.73 EPHX1 (0.31) EPHX1
SCHEMBL6358024 0.72 LMNA (0.51) SMN1; SMN2LMNATP53RAB9AATM
SCHEMBL21896791 0.71 LMNA (0.34) CES2CES1HDAC8HDAC6SMN1; 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-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
EP-1290058-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2003-03-12 EP 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
WO-2001088013-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2001-11-22 WO disclosed