SCHEMBL15224973

SCHEMBL15224973

C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)OCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCOC(=O)c4ccc(-c5ccc(OC(=O)c6ccc(OCCCCCCOC(=O)C(=C)C)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
POLB P06746 2/20 0.60
APEX1 P27695 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL13574932 1.00 HTT (0.60) HTTPOLBAPEX1TDP1NPC1
SCHEMBL15478755 0.98 HTT (0.62) HTTPOLBAPEX1TDP1NPC1
SCHEMBL13574931 0.97 HTT (0.56) HTTPOLBAPEX1TDP1NPC1
SCHEMBL12768330 0.96 POLB (0.56) HTTPOLBAPEX1TDP1NPC1
SCHEMBL15478904 0.96 HTT (0.56) HTTPOLBAPEX1TDP1NPC1
SCHEMBL15478731 0.96 HTT (0.56) HTTPOLBAPEX1TDP1NPC1
SCHEMBL1532002 0.96 HTT (0.60) HTTPOLBAPEX1TDP1NPC1
SCHEMBL15478894 0.94 HTT (0.58) HTTPOLBAPEX1TDP1NPC1
SCHEMBL12768332 0.94 POLB (0.58) HTTPOLBAPEX1TDP1NPC1
SCHEMBL14346662 0.93 POLB (0.64) HTTPOLBAPEX1TDP1NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698413-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2016-12-28 EP claimed
EP-2303988-B9 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2013-12-25 EP claimed
EP-2303988-B1 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2013-09-04 EP claimed
EP-2698413-B1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2016-12-28 EP disclosed
EP-2698413-A2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2014-02-19 EP disclosed
EP-2698411-A2 Mesogen containing compounds TRANSITIONS OPTICAL, INC. (US) 2014-02-19 EP disclosed
EP-2303988-B9 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2013-12-25 EP disclosed
EP-2303988-B1 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL INC (US) 2013-09-04 EP disclosed