SCHEMBL13509482

SCHEMBL13509482

CCCN(CCOc1ccc2c(c1)CCN2C(C)(C)C(=O)O)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
LMNA P02545 4/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL3688162 0.79 ALDH1A1 (0.45) ALDH1A1PLA2G1BATG4BGAAKDM4E
SCHEMBL13508417 0.79 POLB (0.48) ALDH1A1GAAKDM4EMAPTNPSR1
SCHEMBL13508419 0.78 POLB (0.47) ALDH1A1PLA2G1BATG4BGAAKDM4E
SCHEMBL13508422 0.75 PPARG (0.47) ALDH1A1GAAKDM4EMAPTNPSR1
SCHEMBL3680899 0.73 PPARD (0.53) ALDH1A1GAAKDM4EMAPTNPSR1
SCHEMBL13508421 0.72 PPARG (0.51) GAAMAPTNPSR1POLB
SCHEMBL13509569 0.71 LMNA (0.45) ALDH1A1PLA2G1BATG4BLMNATSHR
SCHEMBL13508491 0.70 PPARG (0.49) GAAMAPTNPSR1POLB
SCHEMBL13508418 0.69 PPARG (0.51) GAAMAPTNPSR1POLBBCHE
SCHEMBL20021985 0.67 SLC6A2 (0.60) ALDH1A1PLA2G1BATG4BL3MBTL1GAA

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-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed