SCHEMBL8028304

SCHEMBL8028304

CN(C)C(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KIF11 P52732 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTPRC P08575 2/20 0.39
PTPRG P23470 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL6720098 0.79 HSD17B10 (0.62) MAPTTSHRMEN1ALDH1A1CYP1A2
SCHEMBL6720093 0.79 HSD17B10 (0.62) MAPTTSHRMEN1ALDH1A1CYP1A2
SCHEMBL9775967 0.78 MAPT (0.64) FDPSMAPTTSHRMEN1ALDH1A1
SCHEMBL9422794 0.78 MAPT (0.64) FDPSMAPTTSHRMEN1ALDH1A1
SCHEMBL7107116 0.78 MAPT (0.64) FDPSMAPTTSHRMEN1ALDH1A1
SCHEMBL6674277 0.77 BLM (0.59) MAPTTSHRMEN1ALDH1A1CYP1A2
SCHEMBL6725266 0.77 BLM (0.59) MAPTTSHRMEN1ALDH1A1CYP1A2
SCHEMBL31212623 0.76 HIF1A (0.50) TSHRMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL498294 0.76 HIF1A (0.50) TSHRMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL28140995 0.76 HIF1A (0.50) TSHRMEN1ALDH1A1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973724-A1 NOVEL PROCESS FOR THE PREPARATION OF (+/-)3- (3,4-DICHLOROPHENYL)-2- DIMETHYLAMINO-2-METHYLPROPAN-1-OL OR CERICLAMINE (INN) PARKE-DAVIS (FR) 2000-01-26 EP disclosed
WO-1998045248-A1 NOVEL PROCESS FOR THE PREPARATION OF (+/-)3- (3,4-DICHLOROPHENYL)-2- DIMETHYLAMINO-2-METHYLPROPAN-1-OL OR CERICLAMINE (INN) JOUVEINAL (FR) 1998-10-15 WO disclosed