SCHEMBL10033259

SCHEMBL10033259

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.34
HTT P42858 3/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
SLC22A2 O15244 1/20 0.31
TMPRSS2 O15393 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
SCHEMBL495711 0.95 HTT (0.36) PTPN1HTTMAPTHDAC6GAA
SCHEMBL13703597 0.85 HTT (0.39) PTPN1HTTPOLBAPEX1TDP1
SCHEMBL20709694 0.84 HTT (0.42) HTTPOLBAPEX1TDP1MAPT
SCHEMBL495657 0.83 THRB (0.42) PTPN1HTTPOLBAPEX1TDP1
SCHEMBL19600617 0.82 HTT (0.41) PTPN1HTTPOLBAPEX1TDP1
SCHEMBL25767943 0.82 HTT (0.41) PTPN1HTTPOLBAPEX1TDP1
SCHEMBL9106590 0.80 HTT (0.44) HTTPOLBAPEX1TDP1MAPT
SCHEMBL16674100 0.80 HTT (0.44) HTTPOLBAPEX1TDP1MAPT
SCHEMBL17721435 0.80 HTT (0.44) HTTPOLBAPEX1TDP1MAPT
SCHEMBL14426393 0.80 HTT (0.44) HTTPOLBAPEX1TDP1MAPT

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 2 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-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed