SCHEMBL14280595

SCHEMBL14280595

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(O)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
ESR1 P03372 1/20 0.47
MAPK1 P28482 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47
CYP2C9 P11712 1/20 0.46
PRSS1 P07477 1/20 0.43

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
SCHEMBL12794263 1.00 HTT (0.49) HTTTHRBTSHRCYP3A4ALDH1A1
SCHEMBL12768610 1.00 HTT (0.49) HTTTHRBTSHRCYP3A4ALDH1A1
SCHEMBL223268 1.00 HTT (0.49) HTTTHRBTSHRCYP3A4ALDH1A1
SCHEMBL12510630 1.00 HTT (0.49) HTTTHRBTSHRCYP3A4ALDH1A1
SCHEMBL8666203 0.99 THRB (0.50) HTTTHRBTSHRCYP3A4ALDH1A1
SCHEMBL22245659 0.99 THRB (0.50) HTTTHRBTSHRCYP3A4ALDH1A1
SCHEMBL14370289 0.99 THRB (0.50) HTTTHRBTSHRCYP3A4ALDH1A1
SCHEMBL17301297 0.99 THRB (0.50) HTTTHRBTSHRCYP3A4ALDH1A1
SCHEMBL711551 0.96 HTT (0.46) HTTTHRBTSHRCYP3A4ALDH1A1
SCHEMBL427272 0.96 THRB (0.50) HTTTHRBTSHRCYP3A4ALDH1A1

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-20080024700-A1 LIQUID CRYSTAL PANEL AND LIQUID CRYSTAL DISPLAY DEVICE NITTO DENKO CORPORATION (JP) 2008-01-31 US disclosed
US-20080024700-A1 LIQUID CRYSTAL PANEL AND LIQUID CRYSTAL DISPLAY DEVICE NITTO DENKO CORPORATION (JP) 2008-01-31 US disclosed