SCHEMBL4575612

SCHEMBL4575612

CC(C)Cc1ccccc1Oc1ccccc1CC(C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
SLC6A4 P31645 5/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 3/20 0.43
RIPK1 Q13546 1/20 0.41
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HRH1 P35367 1/20 0.38
CXCL8 P10145 2/20 0.38
HTR2A P28223 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 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
Propane SCHEMBL27634746 0.96 GABRA1 (0.47) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL5018757 0.90 HTT (0.48) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL5018921 0.88 SLC6A4 (0.58) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL878976 0.84 IDO1 (0.53) GABRA1GABRB2HPGDHTT
SCHEMBL6327869 0.84 GABRA1 (0.42) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL5018839 0.83 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3RIPK1HTR2A
SCHEMBL5018954 0.83 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3RIPK1HRH1
SCHEMBL11991402 0.83 SLC6A2 (0.50) GABRA1GABRB2SLC6A4SLC6A2HPGD
SCHEMBL28585945 0.83 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3RIPK1CXCL8
SCHEMBL8986617 0.83 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3RIPK1CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080244963-A1 Lead-Free Aviation Fuel TOTAL FRANCE (FR) 2008-10-09 US claimed
EP-1971668-A1 LEAD-FREE AVIATION FUEL Total France (FR) 2008-09-24 EP claimed
WO-2007074226-A1 LEAD-FREE AVIATION FUEL TOTAL FRANCE (FR) 2007-07-05 WO claimed
US-20080244963-A1 Lead-Free Aviation Fuel TOTAL FRANCE (FR) 2008-10-09 US disclosed
EP-1971668-A1 LEAD-FREE AVIATION FUEL Total France (FR) 2008-09-24 EP disclosed
WO-2007074226-A1 LEAD-FREE AVIATION FUEL TOTAL FRANCE (FR) 2007-07-05 WO disclosed
US-6358901-B1 POLAR APROTIC SOLVENT AND PHENETOLE-TYPE AROMATIC ETHER; STORAGE STABILITY; ODORLESS RHODIA CHIMIE (FR) 2002-03-19 US disclosed
EP-1049749-A1 PAINT STRIPPING COMPOSITION RHODIA CHIMIE (FR) 2000-11-08 EP disclosed
WO-1999037726-A1 PAINT STRIPPING COMPOSITION RHODIA CHIMIE (FR) 1999-07-29 WO disclosed