SCHEMBL7074683

SCHEMBL7074683

C=C(C)C(=O)OCCOc1c(Br)ccc(Br)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 3/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
THRA P10827 4/20 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
SCHEMBL10610844 0.86 POLB (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL13594741 0.86 THRB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL5704184 0.84 THRB (0.42) THRBPOLBAPEX1HTTTDP1
SCHEMBL9719502 0.82 THRB (0.55) THRBPOLBAPEX1HTTTDP1
SCHEMBL3413337 0.80 THRB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL28119609 0.79 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL11175137 0.78 THRB (0.42) THRBPOLBAPEX1HTTTDP1
SCHEMBL11168121 0.78 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL9579758 0.77 THRB (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL5704237 0.77 THRB (0.49) THRBPOLBAPEX1HTTTDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030096172-A1 Hologram recording material composition and hologram recording medium DAISO CO., LTD. (JP) 2003-05-22 US disclosed