SCHEMBL4440730

SCHEMBL4440730

Cc1cc(C)c(S(=O)(=O)NCCCCOc2ccccc2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
FABP4 P15090 1/20 0.59
HTT P42858 2/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
NR3C2 P08235 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
FGB P02675 1/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL4502329 0.92 L3MBTL1 (0.63) L3MBTL1FABP4HTTLMNAMAPK1
SCHEMBL4436503 0.85 L3MBTL1 (0.56) L3MBTL1FABP4HTTLMNASMN1; SMN2
SCHEMBL5963342 0.82 FABP4 (0.76) L3MBTL1FABP4HTTLMNASMN1; SMN2
SCHEMBL8438783 0.82 L3MBTL1 (0.52) L3MBTL1FABP4HTTLMNAMAPK1
SCHEMBL4448257 0.81 L3MBTL1 (0.63) L3MBTL1FABP4HTTLMNAMAPK1
SCHEMBL4441966 0.80 L3MBTL1 (0.59) L3MBTL1FABP4HTTLMNASMN1; SMN2
SCHEMBL23843621 0.79 HRAS (0.58) L3MBTL1HTTLMNAMAPK1SMN1; SMN2
SCHEMBL4514428 0.79 L3MBTL1 (0.83) L3MBTL1FABP4HTTLMNASMN1; SMN2
SCHEMBL1876555 0.78 ALDH1A1 (0.71) HTTLMNAMAPK1SMN1; SMN2TDP1
Bromide SCHEMBL18553818 0.78 FABP4 (0.49) L3MBTL1FABP4HTTLMNAMAPK1

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
EP-2136811-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP disclosed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO disclosed