SCHEMBL13838124

SCHEMBL13838124

C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCCCCOC(=O)C(=C)C)cc3)c(F)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
HTT P42858 3/20 0.60
APEX1 P27695 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
NPC1 O15118 3/20 0.45
LMNA P02545 3/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.43
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
FAAH O00519 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 5/20 0.40

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
SCHEMBL13838120 1.00 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13837975 1.00 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838135 1.00 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13837996 1.00 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838100 1.00 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838060 1.00 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838052 1.00 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838056 1.00 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838106 1.00 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838134 1.00 POLB (0.60) POLBHTTAPEX1TDP1NPC1

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-9011714-B2 Liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-04-21 US disclosed
US-20120286198-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-11-15 US disclosed