SCHEMBL13496748

SCHEMBL13496748

CCC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)CC)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.73
▸ NPC1 O15118 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ NFKB1 P19838 3/20 0.62
▸ NFKB2 Q00653 3/20 0.62
▸ RELA Q04206 3/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ PRSS1 P07477 1/20 0.56
▸ ACR P10323 1/20 0.56
▸ MAPT P10636 5/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ GAA P10253 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MEN1 O00255 1/20 0.53

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
SCHEMBL13496760 0.98 HTT (0.70) HTTNPC1LMNANFKB1NFKB2
SCHEMBL13496781 0.98 HTT (0.70) HTTNPC1LMNANFKB1NFKB2
SCHEMBL13496753 0.94 HTT (0.66) HTTNPC1LMNANFKB1NFKB2
SCHEMBL13496751 0.94 HTT (0.66) HTTNPC1LMNANFKB1NFKB2
SCHEMBL14370315 0.93 HTT (0.63) HTTNPC1LMNANFKB1NFKB2
SCHEMBL21078353 0.93 HTT (0.63) HTTNPC1LMNANFKB1NFKB2
SCHEMBL13496757 0.91 HTT (0.61) HTTNPC1LMNANFKB1NFKB2
SCHEMBL19497702 0.90 HTT (0.60) HTTNPC1LMNANFKB1NFKB2
SCHEMBL13496747 0.90 HTT (0.58) HTTNPC1LMNANFKB1NFKB2
SCHEMBL21336131 0.88 HTT (0.57) HTTNPC1LMNANFKB1NFKB2

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-20100045909-A1 LIQUID CRYSTAL PANEL AND LIQUID CRYSTAL DISPLAY APPARATUS USING THE SAME NITTO DENKO CORPORATION (JP) 2010-02-25 — — US disclosed
US-20100045909-A1 LIQUID CRYSTAL PANEL AND LIQUID CRYSTAL DISPLAY APPARATUS USING THE SAME NITTO DENKO CORPORATION (JP) 2010-02-25 — — US disclosed
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