SCHEMBL13588367

SCHEMBL13588367

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.58
HTT P42858 3/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 4/20 0.45
POLB P06746 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL13588355 0.99 AR (0.57) ARHTTHIF1AMAPTPOLB
SCHEMBL13588369 0.99 AR (0.57) ARHTTHIF1AMAPTPOLB
SCHEMBL13588353 0.98 AR (0.55) ARHTTHIF1AMAPTPOLB
SCHEMBL1791934 0.95 AR (0.62) ARHTTHIF1AMAPTPOLB
SCHEMBL7732692 0.93 AR (0.54) ARHTTHIF1AMAPTPOLB
SCHEMBL13588357 0.93 AR (0.50) ARHTTHIF1AMAPTPOLB
SCHEMBL6535230 0.92 AR (0.51) ARHTTHIF1AMAPTPOLB
SCHEMBL15349 0.91 HTT (0.53) ARHTTHIF1AMAPTPOLB
SCHEMBL20610370 0.91 HTT (0.53) ARHTTHIF1AMAPTPOLB
SCHEMBL22020008 0.91 HTT (0.53) ARHTTHIF1AMAPTPOLB

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