SCHEMBL5584056

SCHEMBL5584056

COc1ccc(C(c2ccccc2)c2ccc(OC)cc2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
PGR P06401 3/20 0.51
AR P10275 2/20 0.51
NR3C1 P04150 1/20 0.51
NR3C2 P08235 1/20 0.51
ACP3 P15309 1/20 0.49
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2D6 P10635 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
SLC6A2 P23975 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PDE4A P27815 1/20 0.45
MAPK1 P28482 1/20 0.45
HRH1 P35367 1/20 0.45
HTT P42858 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL50738 0.93 TYR (0.54) TYRBCHEACHEPGRAR
SCHEMBL4656144 0.90 BCHE (0.54) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL1758750 0.88 TYR (0.58) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL28475878 0.83 MAPT (0.51) TYRBCHEACHEPGRAR
SCHEMBL3823999 0.82 TYR (0.52) TYRBCHEACHEPGRAR
SCHEMBL22301882 0.82 TYR (0.44) TYRBCHEACHEPGRAR
SCHEMBL5024819 0.81 ACP3 (0.56) PGRARNR3C1NR3C2ACP3
SCHEMBL5583979 0.81 NR3C1 (0.51) TYRBCHEACHEPGRAR
SCHEMBL17674588 0.81 NR3C1 (0.51) TYRBCHEACHEPGRAR
SCHEMBL15412975 0.81 TYR (0.71) TYRBCHEACHEPGRAR

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-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP disclosed
US-20050147984-A1 Interaction detection on several probe arrays CLONDIAG CHIP TECHNOLOGIES GMBH (DE) 2005-07-07 US 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