SCHEMBL4367676

SCHEMBL4367676

CC(C)(C)c1ccc(COCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
NR4A2 P43354 2/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 3/20 0.46
KCNH2 Q12809 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 3/20 0.43
BCHE P06276 2/20 0.43
CHRM3 P20309 2/20 0.43

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
SCHEMBL8251933 0.89 APP (0.50) APPLMNATYRNR4A2RXRA
SCHEMBL3161936 0.87 APP (0.49) APPLMNATYRNR4A2RXRA
SCHEMBL20408398 0.87 APP (0.49) APPLMNATYRNR4A2RXRA
SCHEMBL4216724 0.83 CHRM3 (0.50) APPLMNATYRNR4A2RXRA
SCHEMBL19491256 0.83 APP (0.46) APPLMNATYRNR4A2RXRA
SCHEMBL4221559 0.83 APP (0.46) APPLMNATYRNR4A2RXRA
SCHEMBL780050 0.83 APP (0.53) APPLMNATYRNR4A2RXRA
SCHEMBL24606558 0.82 APP (0.45) APPLMNATYRNR4A2RXRA
SCHEMBL9627916 0.82 APP (0.45) APPLMNATYRNR4A2RXRA
SCHEMBL19827280 0.82 APP (0.49) APPLMNATYRNR4A2RXRA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703181-B1 COMPRISING AT LEAST ONE OF: IMIDAZOLE COMPOUND, AN ALANINE COMPOUND, AN ADENINE COMPOUND, AN ADENOSINE COMPOUND, AND A QUATERNARY AMMONIUM SALT COMPOUND, AND WHICH INCREASES MISCIBILITY IN A RESIST FILM KABUSHIKI KAISHA TOSHIBA (JP) 2004-03-09 US claimed
CN-116332710-B Preparation method of metal-catalyzed benzyl ether and prepared benzyl ether 合肥工业大学 2024-11-26 CN disclosed
CN-108409518-B Transition metal-free reductive cleavage of aromatic C-O, C-N and C-S bonds by reactive silanes 加州理工学院 2021-10-12 CN disclosed
CN-107253967-B Transition metal-free silylation of aromatic compounds 加州理工学院 2021-03-30 CN disclosed
CN-111253424-A Silylation of aromatic heterocycles by earth-rich transition metal-free catalysts 加州理工学院 2020-06-09 CN disclosed
CN-107108662-B9 Silylation of aromatic heterocycles by earth-rich transition metal-free catalysts 加州理工学院 2020-05-15 CN disclosed
CN-107108662-B Silylation of aromatic heterocycles by earth-rich transition metal-free catalysts 加州理工学院 2020-02-07 CN disclosed
WO-2009059944-A1 ELECTROCHEMICAL METHOD FOR PRODUCING BENZALDEHYDE DIMETHYL ACETYLENE BASF SE (DE) 2009-05-14 WO disclosed
US-6703181-B1 COMPRISING AT LEAST ONE OF: IMIDAZOLE COMPOUND, AN ALANINE COMPOUND, AN ADENINE COMPOUND, AN ADENOSINE COMPOUND, AND A QUATERNARY AMMONIUM SALT COMPOUND, AND WHICH INCREASES MISCIBILITY IN A RESIST FILM KABUSHIKI KAISHA TOSHIBA (JP) 2004-03-09 US disclosed
US-6172117-B1 APPLYING THIOCYANATOALKYL QUATERNARY AMMONIUM SALTS TO WOOD AKZO NOBEL N.V. (NL) 2001-01-09 US disclosed
US-5658706-A CONTAINING COMPOUND WHICH DECOMPOSES INTO AN ACID KABUSHIKI KAISHA TOSHIBA (JP) 1997-08-19 US disclosed
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
US-5326675-A Pattern forming method including the formation of an acidic coating layer on the radiation-sensitive layer KABUSHIKI KAISHA TOSHIBA (JP) 1994-07-05 US disclosed
EP-0530454-A1 Process for the preparation of alkylphenyl alkyl ethers of alkylphenyl alkyl thioethers HÜLS AKTIENGESELLSCHAFT (DE) 1993-03-10 EP disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed