SCHEMBL6576803

SCHEMBL6576803

CC(C)c1ccccc1C(C)(C)c1ccccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRB2 P47870 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C19 P33261 1/20 0.46
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
FAAH O00519 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42

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
SCHEMBL985922 0.88 GABRA1 (0.57) GABRA1GABRB2CYP3A4ALDH1A1CYP2C19
SCHEMBL6546769 0.87 CRHBP (0.43) GABRA1GABRB2CYP3A4ALDH1A1CYP2C19
SCHEMBL4667743 0.85 GABRA1 (0.46) GABRA1GABRB2CYP3A4ALDH1A1CYP2C19
SCHEMBL29414888 0.85 GABRA1 (0.46) GABRA1GABRB2CYP3A4ALDH1A1CYP2C19
Hydrogen Peroxide SCHEMBL9064510 0.85 CRHBP (0.46) GABRA1GABRB2CYP3A4ALDH1A1CYP2C19
SCHEMBL10694877 0.83 GABRA1 (0.52) GABRA1GABRB2CYP3A4ALDH1A1CYP2C19
SCHEMBL5390263 0.82 CYP3A4 (0.36) GABRA1GABRB2CYP3A4ALDH1A1CYP2C19
SCHEMBL25486867 0.81 CYP3A4 (0.43) GABRA1GABRB2CYP3A4ALDH1A1CYP2C19
Hydrogen Peroxide SCHEMBL49977 0.81 GABRA1 (0.48) GABRA1GABRB2CYP3A4ALDH1A1CYP2C19
SCHEMBL3369244 0.81 CYP3A4 (0.61) GABRA1GABRB2CYP3A4ALDH1A1CYP2C19

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
US-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
EP-1044227-B1 PARTIALLY POLYMERIZED MIXTURE OF DIETHYLENE GLYCOL (ALLYL CARBONATE) COMPOUNDS PPG IND OHIO INC (US) 2004-04-28 EP disclosed
EP-1044228-B1 PROCESS FOR FORMING POLY(ALLYL CARBONATE)-FUNCTIONAL PREPOLYMER COMPOSITION PPG IND OHIO INC (US) 2002-07-10 EP disclosed
US-6057411-A HEATING ALLYL CARBONATE WITH FREE RADICAL INITIATOR FOR POLYMERIZATION PPG INDUSTRIES OHIO, INC. (US) 2000-05-02 US disclosed