SCHEMBL4436503

SCHEMBL4436503

Cc1cc(C)c(S(=O)(=O)NCCCCOc2ccccc2C)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
FABP4 P15090 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 3/20 0.47
FGB P02675 1/20 0.47
POLB P06746 1/20 0.47
ALOX12 P18054 1/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 1/20 0.45
NR3C1 P04150 1/20 0.44
NR2F2 P24468 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4440730 0.85 L3MBTL1 (0.60) L3MBTL1FABP4MEN1KMT2AGAA
SCHEMBL5963342 0.81 FABP4 (0.76) L3MBTL1FABP4MEN1KMT2AGAA
SCHEMBL4441202 0.78 L3MBTL1 (0.58) L3MBTL1FABP4MEN1KMT2AGAA
SCHEMBL4436501 0.77 NR3C1 (0.51) L3MBTL1MEN1KMT2ALMNATSHR
SCHEMBL4502329 0.77 L3MBTL1 (0.63) L3MBTL1FABP4MEN1KMT2AGAA
SCHEMBL4448257 0.77 L3MBTL1 (0.63) L3MBTL1FABP4MEN1KMT2AGAA
SCHEMBL4441966 0.76 L3MBTL1 (0.59) L3MBTL1FABP4MEN1KMT2AGAA
SCHEMBL4446865 0.75 L3MBTL1 (0.54) L3MBTL1FABP4MEN1KMT2AGAA
SCHEMBL4746858 0.75 FABP4 (0.68) L3MBTL1FABP4MEN1KMT2AGAA
SCHEMBL4514428 0.75 L3MBTL1 (0.83) L3MBTL1FABP4MEN1KMT2AGAA

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 4 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 claimed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO claimed
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