SCHEMBL4628241

SCHEMBL4628241

CC(C)CC(C)C(C)COc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.50
PTGS1 P23219 2/20 0.50
ADRB3 P13945 5/20 0.44
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
LTA4H P09960 4/20 0.44
NR5A1 Q13285 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL3685845 0.90 AAK1 (0.46) SLC6A2PTGS1AAK1CYP3A4CYP2C19
SCHEMBL3173896 0.82 SLC6A2 (0.58) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL10922516 0.76 LMNA (0.67) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL11277643 0.75 SLC6A2 (0.54) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL6937523 0.73 FFAR1 (0.54) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL8912305 0.73 FFAR1 (0.54) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL2473518 0.73 SLC6A2 (0.53) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL19531152 0.73 HTT (0.57) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL1854910 0.72 SLC6A2 (0.51) SLC6A2PTGS1ADRB3ADRB2ADRB1
SCHEMBL8765752 0.72 SLC6A2 (0.51) SLC6A2PTGS1ADRB3ADRB2ADRB1

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-1874264-A1 ANTIMICROBIAL FORMULATIONS Syntopix limited (GB) 2008-01-09 EP disclosed
EP-1865915-A1 ANTIMICROBIAL AGENTS Syntopix limited (GB) 2007-12-19 EP disclosed
WO-2006100496-A1 ANTIMICROBIAL AGENTS SYNTOPIX LIMITED (GB) 2006-09-28 WO disclosed
WO-2006100495-A1 FORMULATIONS SYNTOPIX LIMITED (GB) 2006-09-28 WO disclosed