SCHEMBL495711

SCHEMBL495711

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
PTPN1 P18031 2/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL10033259 0.95 PTPN1 (0.34) HTTPTPN1MAPTNPC1LMNA
SCHEMBL495657 0.88 THRB (0.42) HTTPTPN1MAPTNPC1LMNA
SCHEMBL25767943 0.86 HTT (0.41) HTTPTPN1MAPTNPC1LMNA
SCHEMBL19600617 0.85 HTT (0.41) HTTPTPN1MAPTNPC1LMNA
SCHEMBL17721435 0.85 HTT (0.44) HTTMAPTNPC1LMNAKMT2A
SCHEMBL16674100 0.85 HTT (0.44) HTTMAPTNPC1LMNAKMT2A
SCHEMBL9110786 0.85 HTT (0.44) HTTMAPTNPC1LMNAKMT2A
SCHEMBL9106590 0.85 HTT (0.44) HTTMAPTNPC1LMNAKMT2A
SCHEMBL14426393 0.85 HTT (0.44) HTTMAPTNPC1LMNAKMT2A
SCHEMBL15695409 0.85 HTT (0.44) HTTMAPTNPC1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10655066-B2 Optical isomer DIC CORPORATION (JP) 2020-05-19 US disclosed
US-20180037819-A1 OPTICAL ISOMER SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2018-02-08 US disclosed
US-20180037819-A1 OPTICAL ISOMER SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2018-02-08 US disclosed
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
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
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