SCHEMBL6220004

SCHEMBL6220004

CC(C)(C)CC(C)(C)OO.CC(C)c1cccc(OO)c1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
HTR2B P41595 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL35520 0.83 GABRA1 (0.46) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL29351216 0.83 GABRA1 (0.46) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL9489830 0.79 TSHR (0.44) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL10768540 0.77 GABRA1 (0.34) GABRA1GABRG2GABRB3CYP1A2CYP3A4
Formaldehyde SCHEMBL5073239 0.77 GABRA1 (0.41) GABRA1GABRG2GABRB3CYP1A2CYP3A4
Tert-Butyl Hydroperoxide SCHEMBL10384275 0.75 HPGD (0.35) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL11782240 0.75 ALDH1A1 (0.40) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL9419446 0.74 LPAR1 (0.35) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL11299999 0.73 GABRA1 (0.43) GABRA1GABRG2GABRB3CYP1A2CYP3A4
SCHEMBL30363481 0.72 GABRA1 (0.44) GABRA1GABRG2GABRB3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856577-B1 Liquid aqueous cleaning compositions PROCTER & GAMBLE (US) 2004-05-06 EP claimed
EP-1030898-A1 LIQUID MULTIPURPOSE-CLEANING COMPOSITIONS WITH EFFECTIVE FOAM CONTROL THE PROCTER & GAMBLE COMPANY (US) 2000-08-30 EP claimed
EP-1021518-A1 LIQUID AQUEOUS BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-07-26 EP claimed
EP-1021505-A1 LIQUID BLEACHING COMPOSITIONS WITH IMPROVED SAFETY TO FABRICS AND COLORS THE PROCTER & GAMBLE COMPANY (US) 2000-07-26 EP claimed
WO-1999063033-A1 LIQUID BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-12-09 WO claimed
EP-0962520-A1 Liquid bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1999-12-08 EP claimed
WO-1999018181-A1 LIQUID MULTIPURPOSE-CLEANING COMPOSITIONS WITH EFFECTIVE FOAM CONTROL THE PROCTER & GAMBLE COMPANY (US) 1999-04-15 WO claimed
WO-1999018179-A1 LIQUID BLEACHING COMPOSITIONS WITH IMPROVED SAFETY TO FABRICS AND COLORS THE PROCTER & GAMBLE COMPANY (US) 1999-04-15 WO claimed
WO-1999018183-A1 LIQUID AQUEOUS BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-04-15 WO claimed
EP-0908511-A1 Liquid multipurpose-cleaning compositions with effective foam control THE PROCTER & GAMBLE COMPANY (US) 1999-04-14 EP claimed
EP-0908510-A1 Liquid bleaching compositions with improved safety to fabrics and colors THE PROCTER & GAMBLE COMPANY (US) 1999-04-14 EP claimed
EP-0908512-A2 Liquid aqueous bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1999-04-14 EP claimed
WO-1998033879-A1 LIQUID AQUEOUS CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-08-06 WO claimed
EP-0856577-A1 Liquid aqueous cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 1998-08-05 EP claimed
EP-1024188-B1 Bleaching composition comprising substantially linear nonionic surfactants PROCTER & GAMBLE (US) 2005-03-16 EP disclosed