SCHEMBL6358024

SCHEMBL6358024

O=C(OC(C1CCCCC1)C1CO1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ATM Q13315 1/20 0.42
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC18A3 Q16572 1/20 0.38

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
SCHEMBL842289 0.88 LMNA (0.58) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL16237279 0.84 LMNA (0.52) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL16237748 0.80 CYP1A2 (0.51) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL17680189 0.80 LMNA (0.54) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL16256370 0.80 LMNA (0.51) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL23466842 0.80 CYP1A2 (0.48) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL28806235 0.80 TSHR (0.55) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL14463101 0.79 LMNA (0.58) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL16256357 0.78 LMNA (0.52) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL28803763 0.77 LMNA (0.65) LMNACYP1A2CYP2D6SCN1ASCN2A

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