SCHEMBL4448685

SCHEMBL4448685

CCCCOC(=O)C(CN)c1ccc(O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.48
BLM P54132 4/20 0.44
MAPT P10636 3/20 0.44
RECQL P46063 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 3/20 0.44
APEX1 P27695 2/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1D P25100 2/20 0.44
MEN1 O00255 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADRB3 P13945 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL4769748 0.84 ESR1 (0.54) TDP1HPGDLMNAMAPK1CYP3A4
SCHEMBL186928 0.81 APP (0.51) APPBLMTDP1KDM4EHPGD
SCHEMBL186927 0.81 APP (0.51) APPBLMTDP1KDM4EHPGD
SCHEMBL15540843 0.80 SMN1; SMN2 (0.43) TDP1HPGDLMNAMAPK1CYP3A4
SCHEMBL21378827 0.78 TDP1 (0.58) BLMMAPTRECQLTDP1KDM4E
SCHEMBL32670840 0.78 TDP1 (0.58) BLMMAPTRECQLTDP1KDM4E
SCHEMBL10567492 0.76 LMNA (0.50) TDP1LMNAMAPK1POLBL3MBTL1
Hydrochloric Acid SCHEMBL28848203 0.76 TDP1 (0.55) BLMMAPTRECQLTDP1KDM4E
SCHEMBL2409788 0.75 CA12 (0.44) APPHSD17B10
SCHEMBL8803384 0.75 TSHR (0.39) MAPTTDP1HPGDLMNAMAPK1

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