SCHEMBL4947747

SCHEMBL4947747

CCOc1ccc(C(=O)O)cc1-c1ccc(-c2ccccc2NS(=O)(=O)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TTR P02766 1/20 0.47
GAA P10253 1/20 0.45
LTB4R Q15722 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 3/20 0.42
MDM2 Q00987 3/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 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
SCHEMBL4952635 0.92 TDP1 (0.50) TDP1ALDH1A1MAPTKDM4ENPSR1
SCHEMBL4951169 0.82 GRIA4 (0.51) TDP1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL4950190 0.82 TDP1 (0.61) TDP1ALDH1A1MAPTKDM4ENPSR1
SCHEMBL4953785 0.79 ALOX5AP (0.55) TDP1MAPTNPSR1TTRHPGD
SCHEMBL4950432 0.79 SRD5A2 (0.49) TDP1ALDH1A1MAPTKDM4ENPSR1
SCHEMBL9474035 0.79 TSHR (0.60) ALDH1A1MAPTKDM4ENPSR1TTR
SCHEMBL4950018 0.79 TDP1 (0.51) TDP1GAASMN1; SMN2POLBALOX5AP
SCHEMBL4953795 0.79 TDP1 (0.47) TDP1TTRALOX5APFEN1PTPRC
SCHEMBL4950547 0.77 TDP1 (0.47) TDP1TTRALOX5APFEN1PTPRC
SCHEMBL6513336 0.74 MCOLN3 (0.55) TDP1ALDH1A1NPSR1L3MBTL1SMN1; SMN2

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
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed