SCHEMBL9506419

SCHEMBL9506419

CC(C)c1ccccc1C(C)C.OCOO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRB2 P47870 2/20 0.50
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL1652425 0.85 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL2961994 0.82 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL10589385 0.82 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRB2LMNA
Isobutanol SCHEMBL10941922 0.80 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrogen Peroxide SCHEMBL35519 0.79 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrogen Peroxide SCHEMBL20593356 0.79 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrogen Peroxide SCHEMBL29394264 0.79 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrogen Peroxide SCHEMBL99126 0.79 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrogen Peroxide SCHEMBL30120583 0.79 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRB2LMNA
Methyl Alcohol SCHEMBL10709170 0.79 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323712-B1 PROCESS FOR THE PRODUCTION OF DIPHENOLS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP claimed
EP-0323712-A2 Process for the production of diphenols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-07-12 EP claimed
CN-1027974-C Process for production of dihydric phenols MITSUI PETROCHEMICAL IND (JP) 1995-03-22 CN disclosed
EP-0323712-B1 PROCESS FOR THE PRODUCTION OF DIPHENOLS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
US-4933506-A OXIDIZING M-DIISOPROPYLBENZENES WITH OXYGEN, REACTING WITH HYDROGEN PEROXIDE, AND ACID CLEVAGE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-06-12 US disclosed
US-4933506-A OXIDIZING M-DIISOPROPYLBENZENES WITH OXYGEN, REACTING WITH HYDROGEN PEROXIDE, AND ACID CLEVAGE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-06-12 US disclosed
EP-0323712-A2 Process for the production of diphenols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-07-12 EP disclosed
EP-0323712-A2 Process for the production of diphenols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-07-12 EP disclosed