SCHEMBL495657

SCHEMBL495657

C=CC(=O)OCCOC(=O)CCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCC(=O)OCCOC(=O)C=C)cc3)c(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
PTPN1 P18031 3/20 0.41
HTT P42858 3/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
MEN1 O00255 1/20 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
SCHEMBL25767943 0.94 HTT (0.41) THRBPTPN1HTTKMT2AMAPT
SCHEMBL19600617 0.93 HTT (0.41) THRBPTPN1HTTKMT2AMAPT
SCHEMBL15695409 0.93 HTT (0.44) THRBHTTKMT2AMAPTNPC1
SCHEMBL9109301 0.93 HTT (0.44) THRBHTTKMT2AMAPTNPC1
SCHEMBL14926814 0.93 HTT (0.44) THRBHTTKMT2AMAPTNPC1
SCHEMBL17721435 0.93 HTT (0.44) THRBHTTKMT2AMAPTNPC1
SCHEMBL9106590 0.93 HTT (0.44) THRBHTTKMT2AMAPTNPC1
SCHEMBL16674100 0.93 HTT (0.44) THRBHTTKMT2AMAPTNPC1
SCHEMBL14426393 0.93 HTT (0.44) THRBHTTKMT2AMAPTNPC1
SCHEMBL9106264 0.93 HTT (0.44) THRBHTTKMT2AMAPTNPC1

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-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
EP-1689827-B1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2008-07-09 EP disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
EP-1689827-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS Rolic AG (CH) 2006-08-16 EP disclosed
WO-2005054406-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2005-06-16 WO disclosed