SCHEMBL8533581

SCHEMBL8533581

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)Nc1ccc(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.61
EPHX2 P34913 6/20 0.54
CNR1 P21554 7/20 0.50
CNR2 P34972 6/20 0.50
FAAH O00519 3/20 0.50
PSMB11 A5LHX3 1/20 0.47
MEN1 O00255 1/20 0.47
PSMA7 O14818 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMA1 P25786 1/20 0.47
PSMA2 P25787 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
SCHEMBL8533580 1.00 SOAT1 (0.61) SOAT1EPHX2CNR1CNR2FAAH
SCHEMBL8537603 0.94 SOAT1 (0.52) SOAT1EPHX2CNR1CNR2FAAH
SCHEMBL8537601 0.94 SOAT1 (0.52) SOAT1EPHX2CNR1CNR2FAAH
SCHEMBL8532499 0.92 EPHX2 (0.60) SOAT1EPHX2CNR1CNR2FAAH
SCHEMBL8537167 0.86 EPHX2 (0.51) SOAT1EPHX2CNR1CNR2FAAH
SCHEMBL8537160 0.84 SOAT1 (0.83) SOAT1EPHX2CNR1CNR2FAAH
SCHEMBL8537159 0.84 SOAT1 (0.83) SOAT1EPHX2CNR1CNR2FAAH
SCHEMBL8536089 0.84 SOAT1 (0.65) SOAT1EPHX2CNR1CNR2FAAH
SCHEMBL8536086 0.84 SOAT1 (0.65) SOAT1EPHX2CNR1CNR2FAAH
SCHEMBL8533117 0.78 SOAT1 (0.70) SOAT1EPHX2CNR1FAAHMEN1

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