SCHEMBL4448680

SCHEMBL4448680

CCCCOC(=O)N(CC)c1ccc(O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.49
ESR1 P03372 6/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
MCL1 Q07820 1/20 0.45
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5737663 0.84 TSHR (0.55) ESR1MAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL6082056 0.79 TSHR (0.56) ESR1MAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL21382113 0.79 ALDH1A1 (0.47) ESR1MAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL21382246 0.78 MAPK1 (0.46) ESR1MAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL5263202 0.78 TSHR (0.44) ESR1MAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL3315175 0.77 TSHR (0.39) MAPK1SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL6346993 0.75 SMN1; SMN2 (0.46) MAPK1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL6420223 0.75 POLB (0.46) MAPK1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL9148768 0.73 ALDH1A1 (0.50) ESR1SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL6340366 0.73 ALDH1A1 (0.46) APPMAPK1SMN1; SMN2KDM4ENPC1

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-2125195-A2 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME Polyintell (FR) 2009-12-02 EP disclosed
WO-2008132384-A2 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME POLYINTELL (FR) 2008-11-06 WO disclosed