SCHEMBL8533117

SCHEMBL8533117

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

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.70
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
SOAT2 O75908 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FAAH O00519 1/20 0.47
CNR1 P21554 1/20 0.47
LMNA P02545 1/20 0.44
NLRP3 Q96P20 1/20 0.44
FFAR1 O14842 1/20 0.44
CYP19A1 P11511 1/20 0.44
RXRA P19793 1/20 0.44
PPARG P37231 1/20 0.44
OXER1 Q8TDS5 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL8533118 1.00 SOAT1 (0.70) SOAT1SMN1; SMN2ALDH1A1MAPTSOAT2
SCHEMBL8537159 0.92 SOAT1 (0.83) SOAT1SMN1; SMN2ALDH1A1MAPTSOAT2
SCHEMBL8537160 0.92 SOAT1 (0.83) SOAT1SMN1; SMN2ALDH1A1MAPTSOAT2
SCHEMBL8532492 0.87 SOAT1 (0.55) SOAT1SMN1; SMN2ALDH1A1MAPTFAAH
SCHEMBL8532494 0.87 SOAT1 (0.55) SOAT1SMN1; SMN2ALDH1A1MAPTFAAH
SCHEMBL8537601 0.84 SOAT1 (0.52) SOAT1FAAHCNR1EPHX2
SCHEMBL8537603 0.84 SOAT1 (0.52) SOAT1FAAHCNR1EPHX2
SCHEMBL15750407 0.82 HDAC3 (0.54) SOAT1ALDH1A1MAPTKMT2AMEN1
SCHEMBL8531915 0.82 HDAC3 (0.54) SOAT1ALDH1A1MAPTKMT2AMEN1
SCHEMBL8536253 0.82 ALDH1A1 (0.50) SOAT1ALDH1A1MAPTTDP1FAAH

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