SCHEMBL13588366

SCHEMBL13588366

C=CC(=O)OCC(COc1ccc(C(C)(C)c2ccc(OCC(O)COc3ccc(C(C)(C)c4ccc(OCC(COC(=O)C(=C)C)OC(=O)C=C)cc4)cc3)cc2)cc1)OC(=O)C=C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
HTT P42858 3/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MITF O75030 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL19129616 0.96 AR (0.54) ARHTTHIF1APOLBALDH1A1
SCHEMBL20094924 0.92 HTT (0.46) ARHTTHIF1APOLBMAPT
SCHEMBL13588351 0.92 AR (0.53) ARHTTHIF1APOLBMAPT
SCHEMBL13588373 0.92 AR (0.53) ARHTTHIF1APOLBMAPT
SCHEMBL13588350 0.91 AR (0.51) ARHTTHIF1APOLBMAPT
SCHEMBL13588367 0.90 AR (0.58) ARHTTHIF1APOLBMAPT
SCHEMBL25748830 0.89 AR (0.50) ARHTTHIF1APOLBMAPT
SCHEMBL13588369 0.88 AR (0.57) ARHTTHIF1APOLBMAPT
SCHEMBL13588355 0.88 AR (0.57) ARHTTHIF1APOLBMAPT
SCHEMBL13588356 0.88 AR (0.58) ARHTTHIF1APOLBALDH1A1

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-20090297771-A1 BARRIER LAMINATE, GAS BARRIER FILM, DEVICE, AND METHOD FOR PRODUCING BARRIER LAMINATE FUJIFILM CORPORATION (JP) 2009-12-03 US disclosed
US-20090297771-A1 BARRIER LAMINATE, GAS BARRIER FILM, DEVICE, AND METHOD FOR PRODUCING BARRIER LAMINATE FUJIFILM CORPORATION (JP) 2009-12-03 US disclosed