SCHEMBL4970580

SCHEMBL4970580

CCC(C)COc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.50
KDM4E B2RXH2 3/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.43
FFAR1 O14842 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SOD1 P00441 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL17138170 0.87 GPBAR1 (0.60) KDM4EGPBAR1LMNAFFAR1
SCHEMBL2209641 0.84 MAOB (0.51) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL4349792 0.84 MAOB (0.55) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL10154613 0.82 ADRB2 (0.56) GPBAR1LMNAKMT2AL3MBTL1
SCHEMBL12704205 0.82 TSHR (0.43) MAOBKDM4EHSD17B10ALDH1A1KMT2A
SCHEMBL9698630 0.81 NPSR1 (0.49) KDM4EGPBAR1HSD17B10ALDH1A1LMNA
SCHEMBL14027336 0.81 ALDH1A1 (0.54) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL19384259 0.81 LMNA (0.61) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL19384428 0.81 LMNA (0.61) MAOBKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL9324039 0.81 MAOB (0.51) MAOBKDM4EHSD17B10ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed