SCHEMBL5583979

SCHEMBL5583979

COc1ccc(C(c2ccccc2)c2ccc(OC)cc2S)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
NR3C2 P08235 1/20 0.51
AR P10275 1/20 0.51
ACP3 P15309 1/20 0.45
ALDH1A1 P00352 2/20 0.41
SLC2A1 P11166 1/20 0.41
PBRM1 Q86U86 1/20 0.41
CA4 P22748 1/20 0.41
LTA4H P09960 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
BCHE P06276 1/20 0.38
TYR P14679 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRC P12931 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL5584056 0.81 TYR (0.55) NR3C1PGRNR3C2ARACP3
SCHEMBL17674588 0.81 NR3C1 (0.51) NR3C1PGRNR3C2ARACP3
SCHEMBL34971 0.78 SLC2A1 (0.61) NR3C1PGRNR3C2ARACP3
SCHEMBL13295535 0.78 SLC2A1 (0.61) NR3C1PGRNR3C2ARACP3
SCHEMBL13295537 0.78 SLC2A1 (0.61) NR3C1PGRNR3C2ARACP3
SCHEMBL14205685 0.78 SLC2A1 (0.61) NR3C1PGRNR3C2ARACP3
SCHEMBL40557 0.78 SLC2A1 (0.61) NR3C1PGRNR3C2ARACP3
SCHEMBL13295540 0.78 SLC2A1 (0.61) NR3C1PGRNR3C2ARACP3
SCHEMBL28888567 0.78 CA12 (0.48) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL28003107 0.77 NR3C1 (0.47) NR3C1PGRNR3C2ARACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP disclosed
EP-1425417-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS Clondiag Chip Technologies GmbH (DE) 2004-06-09 EP disclosed
WO-2003018838-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECHNOLOGIES GMBH (DE) 2003-03-06 WO disclosed