SCHEMBL3248733

SCHEMBL3248733

CCC(C(=O)O)c1cnc(NS(=O)(=O)c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
PPARG P37231 8/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
ITGA1 P56199 2/20 0.42
SCN1A P35498 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
CYP3A4 P08684 3/20 0.41
SLC40A1 Q9NP59 1/20 0.40
CCR4 P51679 1/20 0.40
EDNRA P25101 1/20 0.39
ITGAV P06756 1/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MEN1 O00255 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
SCHEMBL3253952 0.92 MEN1 (0.48) HSD11B1SCN1ASCN5ASCN8APIK3CD
SCHEMBL3255525 0.90 SCN8A (0.44) HSD11B1SCN1ASCN5ASCN8APIK3CA
SCHEMBL3259074 0.87 HTT (0.49) HSD11B1SCN1ASCN5ASCN8APIK3CD
SCHEMBL3256119 0.86 SCN8A (0.40) HSD11B1SCN1ASCN5ASCN8ACCR4
SCHEMBL3259023 0.85 L3MBTL1 (0.41) HSD11B1PPARGSCN1ASCN5ASCN8A
SCHEMBL3259225 0.83 TDP1 (0.45) HSD11B1SCN1ASCN5ASCN8A
SCHEMBL3256693 0.83 ACLY (0.40) SCN1ASCN5ASCN8ACCR4MEN1
SCHEMBL3256685 0.82 SCN8A (0.37) HSD11B1SCN1ASCN5ASCN8AITGAV
SCHEMBL3257453 0.82 SCN8A (0.40) SCN1ASCN5ASCN8AMEN1KMT2A
SCHEMBL3255776 0.82 RAB9A (0.43) SCN1ASCN5ASCN8APIK3CDPIK3CA

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-1461325-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-05-26 EP claimed