SCHEMBL6910779

SCHEMBL6910779

Oc1cccc(OCCc2ccccc2)c1.Oc1cccc(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
DRD3 P35462 1/20 0.60
APP P05067 1/20 0.59
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
BCHE P06276 4/20 0.55
MAOB P27338 4/20 0.54
NR4A2 P43354 1/20 0.54
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL25197061 0.95 DRD2 (0.65) FFAR1DRD2DRD4ADRA1DADRA1A
SCHEMBL661821 0.95 DRD2 (0.65) FFAR1DRD2DRD4ADRA1DADRA1A
SCHEMBL29548398 0.90 APP (0.71) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL384725 0.90 APP (0.71) DRD2DRD4ADRA1DADRA1AADRA1B
Phenol SCHEMBL28049001 0.88 APP (0.69) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL573713 0.87 DRD2 (0.63) FFAR1DRD2DRD4ADRA1DADRA1A
SCHEMBL16528761 0.85 DRD2 (0.61) FFAR1DRD2DRD4ADRA1DADRA1A
SCHEMBL27400829 0.85 LTA4H (0.51) FFAR1DRD2DRD4ADRA1DADRA1A
Formaldehyde SCHEMBL28868941 0.85 APP (0.65) FFAR1DRD2DRD4ADRA1DADRA1A
SCHEMBL8765703 0.84 DRD2 (0.60) FFAR1DRD2DRD4ADRA1DADRA1A

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
WO-2004039310-A2 TEAT DIP COMPOSITION CONTAINING PHENOL AND PHENATE SPORICIDIN COMPANY (US) 2004-05-13 WO disclosed
EP-1248830-A1 ANTIMICROBIAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-10-16 EP disclosed
WO-2001053444-A1 ANTIMICROBIAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-07-26 WO disclosed
WO-2001053443-A1 ANTIMICROBIAL CLEANSING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-07-26 WO disclosed