SCHEMBL4440691

SCHEMBL4440691

COc1ccc(OC)c(SCC(I)(NS(=O)(=O)c2c(C)cc(C)cc2C)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR3C1 P04150 3/20 0.37
PGR P06401 3/20 0.37
NR3C2 P08235 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4436592 0.82 NR3C1 (0.41) KMT2ASMN1; SMN2MEN1LMNATSHR
SCHEMBL4440638 0.81 NR3C1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3228288 0.78 NR3C1 (0.60) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL4439493 0.78 NR3C1 (0.43) KMT2AMEN1TSHRL3MBTL1NR3C1
SCHEMBL4445154 0.78 NR3C1 (0.43) KMT2ASMN1; SMN2MEN1LMNATSHR
SCHEMBL4437844 0.78 NR3C1 (0.43) KMT2ASMN1; SMN2MEN1LMNATSHR
SCHEMBL4439498 0.77 NR3C1 (0.44) KMT2ASMN1; SMN2MEN1LMNATSHR
SCHEMBL4444804 0.77 NR3C1 (0.38) KMT2AMEN1TSHRHTTNR3C1
SCHEMBL4442292 0.77 NR3C1 (0.38) KMT2AMEN1TSHRNR3C1PGR
SCHEMBL4435000 0.76 NR3C1 (0.38) ALDH1A1KMT2AMEN1TSHRNR3C1

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