SCHEMBL7090863

SCHEMBL7090863

COC(=O)c1sccc1S(=O)(=O)NCC(Nc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 8/20 0.49
LMNA P02545 6/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 6/20 0.48
GAA P10253 4/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
XBP1 P17861 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL533130 0.80 PPARG (0.66) PPARGPPARDPPARAPOLBMAPT
SCHEMBL12601403 0.75 MAPT (0.47) PPARGPPARDPPARAPOLBMAPT
SCHEMBL7090272 0.73 LMNA (0.53) MAPTLMNANPSR1TP53GAA
SCHEMBL7090173 0.73 MAPT (0.48) POLBMAPTLMNANPSR1TP53
SCHEMBL29164906 0.72 EDNRA (0.51) PPARGPPARDPPARAPOLBMAPT
SCHEMBL7144265 0.72 MAPT (0.47) MAPTLMNANPSR1TP53GAA
SCHEMBL7090227 0.71 MAPT (0.81) MAPTLMNANPSR1TP53GAA
SCHEMBL12293606 0.71 MAPT (0.67) PPARGPPARDPPARAMAPTLMNA
SCHEMBL12293623 0.70 PPARG (0.58) PPARGPPARDPPARAPOLBMAPT
SCHEMBL11469582 0.70 EDNRA (0.56) PPARGPPARDPPARAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO claimed
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed