SCHEMBL11566950

SCHEMBL11566950

Nc1ccc(OCC(O)COCC(O)COc2ccc(N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
APP P05067 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL7934862 0.94 MAPT (0.55) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL5494961 0.89 TDP1 (0.55) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL28531572 0.85 POLB (0.51) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL656178 0.84 AR (0.53) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL1263762 0.84 POLB (0.47) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL6049252 0.82 TDP1 (0.55) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL9002377 0.82 AR (0.55) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL31590227 0.82 PTGS1 (0.59) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL6141129 0.81 TDP1 (0.52) MAPTPOLBLMNANPSR1ADRB2
SCHEMBL19021801 0.80 USP2 (0.62) MAPTPOLBLMNANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179337-A POLYALKYLENE GLYCOL LINKED TO POLYPEPTIDE THROUGH COUPLER RESEARCH CORPORATION TECHNOLOGIES, INC., A NOT-FOR-PROFIT, NON-STOCK CORP. OF DE 1979-12-18 US disclosed