SCHEMBL3889299

SCHEMBL3889299

CC(C)c1ccc(CO)c(CO)c1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
GABRG2 P18507 3/20 0.50
GABRB3 P28472 3/20 0.50
ACE2 Q9BYF1 2/20 0.41
LMNA P02545 2/20 0.31
SLC6A2 P23975 2/20 0.31
HTR2B P41595 2/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA1A P35348 1/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL28186285 0.83 ACE2 (0.44) GABRA1GABRG2GABRB3ACE2LMNA
SCHEMBL9862062 0.80 GABRA1 (0.41) GABRA1GABRG2GABRB3ACE2LMNA
SCHEMBL9862018 0.76 GABRA1 (0.55) GABRA1GABRG2GABRB3ACE2LMNA
SCHEMBL9063999 0.73 GABRA1 (0.33) GABRA1GABRG2GABRB3ACE2
SCHEMBL15397424 0.73 GABRA1 (0.76) GABRA1GABRG2GABRB3ACE2LMNA
SCHEMBL487534 0.73 GABRA1 (0.57) GABRA1GABRG2GABRB3ACE2LMNA
Hydrogen Peroxide SCHEMBL10512587 0.72 GABRA1 (0.55) GABRA1GABRG2GABRB3ACE2LMNA
SCHEMBL1292825 0.69 GABRA1 (0.41) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL1525478 0.69 APOBEC3G (0.43) GABRA1GABRG2GABRB3LMNAHPGD
SCHEMBL31503898 0.69 ACE2 (0.58) GABRA1GABRG2GABRB3ACE2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066233-B1 IMPROVED PROCESS FOR THE PRODUCTION OF A DIHYDROXYBENZENE AND DICARBINOL FROM DIISOPROPYLBENZENE INDSPEC CHEMICAL CORP (US) 2003-07-30 EP claimed
US-7557252-B2 Subjecting a diisopropylbenzene with oxygen containing gas to obtain oxidation reaction mixture containing a diisopropylbenzene dihydroperoxide and a diisopropylbenzene hydroxy hydroperoxide followed by an extraction separation step, a decomposition step, a distillation separation step, a reduction step SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-07 US disclosed
EP-0284424-B1 PROCESS FOR PRODUCING HYDROXYBENZENES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-01-22 EP disclosed
US-4835325-A A,A-DIALKYL-A-HYDROXYALKYBENZENE, NITRILE, HYDROGEN PEROXIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-05-30 US disclosed
EP-0284424-A1 Process for producing hydroxybenzenes MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-09-28 EP disclosed