SCHEMBL4022914

SCHEMBL4022914

NC(=O)CC(c1ccccc1)C1CCC(O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NR3C2 P08235 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
CYP2C19 P33261 3/20 0.42
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNA3 P22001 1/20 0.39
SLC6A3 Q01959 3/20 0.38
DRD3 P35462 2/20 0.38

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
SCHEMBL4180738 0.94 FFAR1 (0.61) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL8007179 0.86 KMT2A (0.67) FFAR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27626466 0.83 FFAR1 (0.50) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL25152422 0.80 FFAR1 (0.81) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL22534357 0.80 FFAR1 (0.81) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL25152436 0.80 FFAR1 (0.81) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL28469916 0.79 FFAR1 (0.51) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL17761370 0.78 FFAR1 (0.50) FFAR1MEN1KMT2ADPP9
SCHEMBL17761209 0.78 FFAR1 (0.50) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL17761361 0.78 FFAR1 (0.50) FFAR1MEN1KMT2ASMN1; SMN2CYP2C19

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-2066318-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
WO-2008034736-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed
EP-1575586-A1 2-PYRIDYL AND 2-PYRIMIDYL CYCLOALKYLENE AMIDE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS Pfizer Japan Inc. (JP) 2005-09-21 EP disclosed
WO-2004054579-A1 2-PYRIDYL AND 2-PYRIMIDYL CYCLOALKYLENE AMIDE COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2004-07-01 WO disclosed