SCHEMBL8536253

SCHEMBL8536253

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)Nc1c(CC)cccc1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
FAAH O00519 3/20 0.50
CNR1 P21554 2/20 0.50
MAPT P10636 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FFAR1 O14842 1/20 0.47
CYP19A1 P11511 1/20 0.47
RXRA P19793 1/20 0.47
PPARG P37231 1/20 0.47
OXER1 Q8TDS5 1/20 0.47
SOAT1 P35610 1/20 0.47
THRB P10828 1/20 0.47
EPHX2 P34913 4/20 0.46
ALOX12 P18054 1/20 0.45
POLB P06746 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL8536254 1.00 ALDH1A1 (0.50) ALDH1A1FAAHCNR1MAPTALOX15
SCHEMBL8531933 0.92 SOAT1 (0.57) ALDH1A1FAAHCNR1MAPTALOX15
SCHEMBL8531931 0.92 SOAT1 (0.57) ALDH1A1FAAHCNR1MAPTALOX15
SCHEMBL8531915 0.85 HDAC3 (0.54) ALDH1A1FAAHCNR1MAPTALOX15
SCHEMBL8531914 0.85 HDAC3 (0.54) ALDH1A1FAAHCNR1MAPTALOX15
SCHEMBL15750407 0.85 HDAC3 (0.54) ALDH1A1FAAHCNR1MAPTALOX15
SCHEMBL8533118 0.82 SOAT1 (0.70) ALDH1A1FAAHCNR1MAPTTDP1
SCHEMBL8533117 0.82 SOAT1 (0.70) ALDH1A1FAAHCNR1MAPTTDP1
SCHEMBL8532508 0.77 HDAC3 (0.58) ALDH1A1FAAHCNR1MAPTALOX15
SCHEMBL15750406 0.77 HDAC3 (0.58) ALDH1A1FAAHCNR1MAPTALOX15

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