SCHEMBL13922519

SCHEMBL13922519

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(C)=O)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ NFKB1 P19838 3/20 0.50
▸ NFKB2 Q00653 3/20 0.50
▸ RELA Q04206 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ GAA P10253 1/20 0.49
▸ HTT P42858 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 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
SCHEMBL13572558 1.00 NPC1 (0.50) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13572566 1.00 NPC1 (0.50) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12768595 1.00 NPC1 (0.50) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13197222 0.99 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA
SCHEMBL21113772 0.99 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA
SCHEMBL16379523 0.99 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA
SCHEMBL12768477 0.96 NPC1 (0.47) NPC1LMNANFKB1NFKB2RELA
SCHEMBL22891219 0.94 NPC1 (0.49) NPC1LMNANFKB1NFKB2RELA
SCHEMBL25138377 0.94 ALDH1A1 (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL22138759 0.94 ALDH1A1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090040443-A1 METHOD OF PRODUCING A LIQUID CRYSTAL PANEL, LIQUID CRYSTAL PANEL, AND IMAGE DISPLAY APPARATUS NITTO DENKO CORPORATION (JP) 2009-02-12 — — US disclosed
US-20090040443-A1 METHOD OF PRODUCING A LIQUID CRYSTAL PANEL, LIQUID CRYSTAL PANEL, AND IMAGE DISPLAY APPARATUS NITTO DENKO CORPORATION (JP) 2009-02-12 — — US disclosed
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