SCHEMBL8078006

SCHEMBL8078006

CCCCCCC(=O)c1cc(C)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HDAC8 Q9BY41 1/20 0.52
HDAC1 Q13547 1/20 0.52
KDM4E B2RXH2 1/20 0.51
EPHX2 P34913 1/20 0.49
HTT P42858 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PAK1 Q13153 1/20 0.47
POLB P06746 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47

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
SCHEMBL10600889 1.00 GAA (0.67) GAATDP1L3MBTL1HDAC8HDAC1
SCHEMBL10599678 1.00 GAA (0.67) GAATDP1L3MBTL1HDAC8HDAC1
SCHEMBL7898046 0.87 GAA (0.54) GAATDP1L3MBTL1HDAC8HDAC1
SCHEMBL14261447 0.87 GAA (0.54) GAATDP1L3MBTL1HDAC8HDAC1
SCHEMBL3891073 0.87 HDAC8 (0.55) GAATDP1L3MBTL1HDAC8HDAC1
SCHEMBL10772675 0.87 GAA (0.54) GAATDP1L3MBTL1HDAC8HDAC1
SCHEMBL3892218 0.87 HDAC8 (0.55) GAATDP1L3MBTL1HDAC8HDAC1
SCHEMBL4650738 0.84 GAA (0.49) GAATDP1L3MBTL1HDAC8HDAC1
SCHEMBL23935770 0.83 L3MBTL1 (0.53) GAATDP1L3MBTL1HDAC8HDAC1
SCHEMBL10768782 0.83 MEN1 (0.63) GAATDP1L3MBTL1HTTMEN1

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-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP disclosed