SCHEMBL495159

SCHEMBL495159

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 5/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
STS P08842 5/20 0.39

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
SCHEMBL14366586 0.97 NPC1 (0.42) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14141149 0.96 NPC1 (0.41) NPC1LMNANFKB1NFKB2RELA
SCHEMBL7142766 0.92 MAPT (0.46) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13152962 0.87 NPC1 (0.57) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14500157 0.85 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA
SCHEMBL3192599 0.85 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA
SCHEMBL10033262 0.85 NPC1 (0.51) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13768006 0.84 NPC1 (0.47) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13655487 0.84 HTT (0.47) NPC1LMNANFKB1NFKB2RELA
SCHEMBL29008524 0.83 NPC1 (0.47) 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 8 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
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