SCHEMBL13588352

SCHEMBL13588352

C=C(C)C(=O)OCC(COc1ccc(C2(c3ccc(OCC(COC(=O)C(=C)C)OC(=O)C(=C)C)cc3)CCCCC2)cc1)OC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
PPARA Q07869 1/20 0.33
ABCB1 P08183 2/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A2 P23975 3/20 0.31

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
SCHEMBL14173065 0.86 POLB (0.45) ADORA3PSMB1PSMB5PSMB2POLB
SCHEMBL26007788 0.82 POLB (0.41) ADORA3PSMB1PSMB5PSMB2POLB
SCHEMBL14173309 0.81 AR (0.47) ARPOLBAPEX1HTTTDP1
SCHEMBL14173324 0.81 AR (0.47) ARPOLBAPEX1HTTTDP1
SCHEMBL19940074 0.80 POLB (0.55) ADORA3PSMB1PSMB5PSMB2POLB
SCHEMBL19940602 0.80 POLB (0.55) ADORA3PSMB1PSMB5PSMB2POLB
SCHEMBL9926765 0.79 AR (0.45) ARPOLBAPEX1HTTTDP1
SCHEMBL6880397 0.79 MTNR1A (0.46) ARPOLBAPEX1HTTTDP1
SCHEMBL14173311 0.78 AR (0.44) ARPOLBAPEX1HTTTDP1
SCHEMBL14173307 0.78 AR (0.44) ARPOLBAPEX1HTTTDP1

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