SCHEMBL495312

SCHEMBL495312

CCCCCCCOC(=O)c1cc(OC(=O)c2ccc(OCCCCCCO)cc2)ccc1OC(=O)c1ccc(OCCCCCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
LMNA P02545 3/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 5/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G4B P0C869 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL13152962 0.96 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA
SCHEMBL25224472 0.94 NPC1 (0.47) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7147757 0.91 MAPT (0.51) NPC1LMNANFKB1NFKB2RELA
SCHEMBL25230007 0.90 NPC1 (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL10033262 0.89 NPC1 (0.51) NPC1LMNANFKB1NFKB2RELA
SCHEMBL25226767 0.89 MAPT (0.46) NPC1LMNANFKB1NFKB2RELA
SCHEMBL25225206 0.89 NPC1 (0.42) NPC1LMNANFKB1NFKB2RELA
SCHEMBL30457272 0.89 NPC1 (0.42) NPC1LMNANFKB1NFKB2RELA
SCHEMBL3792053 0.88 POLB (0.56) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14500157 0.88 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA

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 10 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
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
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