SCHEMBL779789

SCHEMBL779789

CCC(C)(C)c1cccc(C(C)(C)CC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 1/20 0.52
CASP3 P42574 1/20 0.52
ATM Q13315 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 1/20 0.37

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
Water SCHEMBL27961448 0.97 MAPK1 (0.50) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL19362870 0.89 MAPK1 (0.44) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL13241583 0.89 MAPK1 (0.47) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL11067456 0.86 ACHE (0.46) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL21227096 0.86 RAB9A (0.46) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL11066480 0.86 KIF11 (0.46) MAPK1SMN1; SMN2NPC1RAB9ALMNA
Phenol SCHEMBL28873361 0.85 ESR1 (0.50) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL13650520 0.84 MAPK1 (0.52) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2903675 0.84 NPC1 (0.44) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL777635 0.84 NPC1 (0.44) MAPK1SMN1; SMN2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981552-B2 Lithium secondary battery and non-aqueous electrolytic solution UBE INDUSTRIES, LTD. (JP) 2011-07-19 US claimed
US-7700232-B2 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2010-04-20 US claimed
US-20080254367-A1 Anode composite of lithium oxide with cobalt oxide or nickel oxide; cathode is lithium, or alloy thereof; nonaqueous electrolyte; prevention decomposition due to overcharging UBE INDUSTRIES, LTD. (JP) 2008-10-16 US claimed
US-20080248399-A1 Comprises an electrolyte salt in a non-aqueous solvent which contains a tert-alkylbenzene compound of high purity; battery improved in safety, excellent in cycle performance and storage performance at a high temperature, improved safety UBE INDUSTRIES, LTD. (JP) 2008-10-09 US claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
WO-2022259720-A1 ACRYLIC COPOLYMER, ACRYLIC-COPOLYMER-CONTAINING COMPOSITION, AND CROSSLINKED ACRYLIC COPOLYMER 株式会社大阪ソーダ 2022-12-15 WO disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
CN-113880741-A Method for producing isothiocyanate 旭化成株式会社 2022-01-04 CN disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-10333172-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-25 US disclosed
EP-1324417-A1 LITHIUM SECONDARY CELL AND NONAQUEOUS ELECTROLYTE Ube Industries, Ltd. (JP) 2003-07-02 EP disclosed
CN-1246468-A Improved process for preparing ketone musk HU KANG (CN) 2000-03-08 CN disclosed
EP-0548426-A1 Method for increasing the efficiency of liquid phase oxidation reactions AMOCO CORPORATION (US) 1993-06-30 EP disclosed
EP-0233450-B1 LINEAR SALICYLIC ACID COPOLYMERS AND THEIR METAL SALTS, PRODUCTION PROCESS THEREOF, COLOR-DEVELOPING AGENTS COMPRISING METAL-RESINS OF THE COPOLYMERS, AND COLOR-DEVELOPING SHEETS EMPLOYING THE AGENTS MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-11 EP disclosed
US-5095143-A Alkylaromatic to aromatic carboxylic acid AMOCO CORPORATION (US) 1992-03-10 US disclosed
US-4783521-A Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-11-08 US disclosed
EP-0233450-A2 Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers, and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-08-26 EP disclosed
US-4218476-A Anti-thrombotic N-alkylthioakylamino benzenesulfonamides AB KABI (SE) 1980-08-19 US disclosed