SCHEMBL8532504

SCHEMBL8532504

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1c(C)cccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
SOAT1 P35610 1/20 0.57
EPHX2 P34913 4/20 0.56
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
HPGD P15428 2/20 0.54
GLA P06280 1/20 0.54
THRB P10828 1/20 0.54
CNR1 P21554 4/20 0.52
CNR2 P34972 3/20 0.51

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
SCHEMBL15750406 1.00 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8532508 1.00 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8531914 0.92 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8531915 0.92 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15750407 0.92 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8531931 0.86 SOAT1 (0.57) SOAT1EPHX2ALDH1A1MAPTHPGD
SCHEMBL8532602 0.86 HPGD (0.54) SOAT1EPHX2ALDH1A1MAPTHPGD
SCHEMBL8532600 0.86 HPGD (0.54) SOAT1EPHX2ALDH1A1MAPTHPGD
SCHEMBL8531933 0.86 SOAT1 (0.57) SOAT1EPHX2ALDH1A1MAPTHPGD
SCHEMBL8537159 0.83 SOAT1 (0.83) SOAT1EPHX2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801178-A ACAT INHIBITOR, ARTERIOSCLEROSIS NIPPON SHOJI KAISH LTD. (JP) 1998-09-01 US disclosed
EP-0726247-B1 Aniline derivatives having a polyunsaturated fatty acid residue and use thereof NIPPON SHOJI KAISHA LTD (JP) 1998-07-08 EP disclosed
EP-0726247-A1 Aniline derivatives having a polyunsaturated fatty acid residue and use thereof NIPPON SHOJI KAISHA, LIMITED (JP) 1996-08-14 EP disclosed