SCHEMBL4950018

SCHEMBL4950018

CC(C)S(=O)(=O)Nc1ccccc1-c1ccc(-c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
KMO O15229 1/20 0.50
ACLY P53396 3/20 0.47
PFKFB3 Q16875 1/20 0.46
MCL1 Q07820 2/20 0.45
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
LDHA P00338 1/20 0.42
LDHB P07195 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
SCHEMBL4951169 0.89 GRIA4 (0.51) TDP1ACLYMCL1ALOX5APFEN1
SCHEMBL4950432 0.83 SRD5A2 (0.49) TDP1ACLYMCL1ALOX5APFEN1
SCHEMBL4953785 0.83 ALOX5AP (0.55) TDP1ACLYMCL1ALOX5APFEN1
SCHEMBL6513336 0.83 MCOLN3 (0.55) TDP1ACLYMCL1ALOX5APFEN1
SCHEMBL4950190 0.81 TDP1 (0.61) TDP1ACLYALOX5APFEN1LMNA
SCHEMBL4950459 0.81 GRIA2 (0.54) ALOX5APFEN1SMN1; SMN2
SCHEMBL4953795 0.81 TDP1 (0.47) TDP1MCL1ALOX5APFEN1
SCHEMBL4950547 0.81 TDP1 (0.47) TDP1MCL1ALOX5APFEN1
SCHEMBL4946259 0.80 ACLY (0.45) KMOACLYPFKFB3LMNAGAA
SCHEMBL4952635 0.79 TDP1 (0.50) TDP1ALOX5APFEN1GAAPOLB

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