SCHEMBL6948529

SCHEMBL6948529

CCc1c(O)cc(C(=O)OC)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.64
KDM4E B2RXH2 4/20 0.64
XDH P47989 2/20 0.64
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64
NFKB1 P19838 1/20 0.64
GFER P55789 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
FUT7 Q11130 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA7 P43166 5/20 0.55
CA9 Q16790 5/20 0.55
CA14 Q9ULX7 5/20 0.55
CNR2 P34972 2/20 0.51
HPGD P15428 2/20 0.50

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
SCHEMBL16491067 0.82 KDM4E (0.62) LMNAKDM4EXDHPOLBGAA
SCHEMBL29136490 0.82 CA1 (0.52) LMNAKDM4EXDHPOLBGAA
Gallic Acid Methyl Ester SCHEMBL18585459 0.80 XDH (0.84) LMNAKDM4EXDHPOLBGAA
SCHEMBL19433087 0.79 CA12 (0.53) LMNAKDM4EXDHPOLBGAA
Gallic Acid Methyl Ester SCHEMBL39513 0.79 KDM4E (1.00) LMNAKDM4EXDHPOLBGAA
SCHEMBL28563630 0.78 MAPT (0.50) LMNAKDM4EXDHPOLBGAA
SCHEMBL643290 0.78 LMNA (0.56) LMNAKDM4EXDHPOLBGAA
SCHEMBL10069378 0.78 XDH (0.51) LMNAKDM4EXDHPOLBGAA
SCHEMBL11671459 0.78 KDM4E (0.61) LMNAKDM4EXDHPOLBGAA
SCHEMBL3373567 0.77 CA12 (0.67) LMNAKDM4EXDHPOLBGAA

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
WO-2016126941-A1 MULTIMERIC PROTECTED FLUORESCENT REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-08-11 WO disclosed
WO-2015021079-A1 PROTECTED FLUORESCENT REAGENT COMPOUNDS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-02-12 WO disclosed
EP-1235832-B1 VITAMIN D PRESCURSORS, METHOD AND INTERMEDIATES THERAMEX (MC) 2003-11-19 EP disclosed
EP-1235832-A1 VITAMIN D PRESCURSORS, METHOD AND INTERMEDIATES LABORATOIRE THERAMEX (MC) 2002-09-04 EP disclosed
WO-2001042251-A1 VITAMIN D PRECURSORS, METHOD AND INTERMEDIATES LABORATOIRE THERAMEX (MC) 2001-06-14 WO disclosed
EP-1106618-A1 Precursors of the A-ring of vitamin D, and method and intermediates for the preparation thereof LABORATOIRE THERAMEX (MC) 2001-06-13 EP disclosed
US-6191292-B1 ENZYMATIC ESTERIFICATION OF A DIOL, E.G., METHYL-3-ACETOXY-5-HYDROXY-CYCLOHEXANECARBOXYLATE BY A LIPASE AND VINYL ALKANOATE OR AN ACID ANHYDRIDE; CYCLIZATION TO A BICYCLIC(3.1.0)HEXANE DERIVATIVE LABORATOIRE THERAMEX (MC) 2001-02-20 US disclosed