SCHEMBL7594598

SCHEMBL7594598

NCCC(=O)OCCOC(=O)CCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 2/20 0.46
DGKA P23743 1/20 0.46
ADRA2A P08913 1/20 0.44
ADRA1A P35348 1/20 0.44
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 2/20 0.39
THRB P10828 2/20 0.39
CNR1 P21554 1/20 0.39
TSHR P16473 3/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APP P05067 2/20 0.35
LMNA P02545 2/20 0.33
DNM1 Q05193 1/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33

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
SCHEMBL7588536 0.92 TDP1 (0.43) TDP1CYP1A2DGKAADRA2AADRA1A
SCHEMBL10523871 0.92 TDP1 (0.43) TDP1CYP1A2DGKAADRA2AADRA1A
SCHEMBL7600473 0.92
Hydrochloric Acid SCHEMBL9420467 0.90 TDP1 (0.42) TDP1CYP1A2DGKAADRA2AADRA1A
Hydrochloric Acid SCHEMBL11853747 0.89 MAPT (0.44) TDP1CYP1A2DGKAADRA2AADRA1A
SCHEMBL2568519 0.88 TSHR (0.44) TDP1CYP1A2DGKAADRA2AADRA1A
SCHEMBL4381200 0.88 ALDH1A1 (0.46) TDP1CYP1A2DGKAADRA2AADRA1A
SCHEMBL5378203 0.87
SCHEMBL8923707 0.85
SCHEMBL3893367 0.85

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
WO-2002053526-A1 NEW COMPOUNDS FOR USE AS INTERMEDIATES IN LINEAR BLOCK POLYMER AND NEW LINEAR BLOCK POLYMER ARTIMPLANT AB (SE) 2002-07-11 WO claimed
WO-2002053616-A1 NEW LINEAR BLOCK POLYMER ARTIMPLANT AB (SE) 2002-07-11 WO claimed
WO-2002053526-A1 NEW COMPOUNDS FOR USE AS INTERMEDIATES IN LINEAR BLOCK POLYMER AND NEW LINEAR BLOCK POLYMER ARTIMPLANT AB (SE) 2002-07-11 WO disclosed
WO-2002053616-A1 NEW LINEAR BLOCK POLYMER ARTIMPLANT AB (SE) 2002-07-11 WO disclosed