SCHEMBL6428535

SCHEMBL6428535

Oc1cccc(OCc2ccccc2)c1.Oc1cccc(Oc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.63
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
MAOB P27338 5/20 0.57
NR4A2 P43354 1/20 0.57
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
DRD3 P35462 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL29548398 0.93 APP (0.71) APPCYP4F2CYP4A11MAOBNR4A2
SCHEMBL384725 0.93 APP (0.71) APPCYP4F2CYP4A11MAOBNR4A2
Phenol SCHEMBL28049001 0.91 APP (0.69) APPCYP4F2CYP4A11MAOBNR4A2
SCHEMBL16886110 0.89 MAOB (0.70) CYP4F2CYP4A11MAOBNR4A2BCHE
Formaldehyde SCHEMBL28868941 0.88 APP (0.65) APPCYP4F2CYP4A11MAOBNR4A2
SCHEMBL28237963 0.87 MAOB (0.72) CYP4F2CYP4A11MAOBNR4A2LMNA
SCHEMBL450261 0.85 LTA4H (0.62) MAOBDRD2DRD4ADRA1DADRA1A
Ethylene Glycol SCHEMBL28255824 0.84 CYP4F2 (0.70) CYP4F2CYP4A11MAOBNR4A2LMNA
SCHEMBL6910779 0.83 FFAR1 (0.60) APPCYP4F2CYP4A11MAOBNR4A2
SCHEMBL11817541 0.83 LTA4H (0.60) MAOBLMNAPTGS1KDM4EMEN1

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
US-20050233930-A1 Disinfectant cleaning compositions RECKITT BENCKISER INC. (US) 2005-10-20 US disclosed
EP-1176947-A1 ANTIMICROBIAL WIPES THE PROCTER & GAMBLE COMPANY (US) 2002-02-06 EP disclosed
WO-2000061105-A1 ANTIMICROBIAL WIPES THE PROCTER & GAMBLE COMPANY (US) 2000-10-19 WO disclosed