SCHEMBL372440

SCHEMBL372440

COc1ccccc1[N+]1(C)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HTR2C P28335 2/20 0.36
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL30368224 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL5944589 0.98 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL8815732 0.77 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL372845 0.77 CA1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL7032328 0.75 ALDH1A1 (0.45) CA1CA2ALDH1A1TSHRMAPK1
SCHEMBL10707887 0.70 HTR2C (0.45) CA1CA2CA7CA9CA12
SCHEMBL31229837 0.69 CYP2A6 (0.39) ALDH1A1TSHRMAPK1SMN1; SMN2HTR6
SCHEMBL615912 0.69 HTR2C (0.44) CA1CA2CA7CA9CA12
SCHEMBL5944513 0.66 APOBEC3A (0.40) ALDH1A1MAPK1SMN1; SMN2HTTHTR3A
1,2-Dimethoxybenzene SCHEMBL5308636 0.65 CA1 (1.00) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111670407-B Light modulation component 国立大学法人名古屋工业大学 2023-04-07 CN disclosed
CN-111670407-A Light modulation component 国立大学法人名古屋工业大学 2020-09-15 CN disclosed
US-8722243-B2 Material for use as electrolyte, lithium secondary battery electrolyte, lithium secondary battery employing the same, and novel lithium salt THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2014-05-13 US disclosed
EP-2587580-A1 ELECTROLYTE MATERIAL, ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, LITHIUM SECONDARY BATTERY USING SAME, AND NOVEL LITHIUM SALT The Nippon Synthetic Chemical Industry Co., Ltd. (JP) 2013-05-01 EP disclosed
US-20130089777-A1 MATERIAL FOR USE AS ELECTROLYTE, LITHIUM SECONDARY BATTERY ELECTROLYTE, LITHIUM SECONDARY BATTERY EMPLOYING THE SAME, AND NOVEL LITHIUM SALT THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2013-04-11 US disclosed
US-20130053287-A1 SYNTHETIC LUBRICANT THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2013-02-28 US disclosed
US-20120237838-A1 LITHIUM AIR BATTERY SONY CORPORATION (JP) 2012-09-20 US disclosed
EP-2495803-A1 LITHIUM-AIR BATTERY Sony Corporation (JP) 2012-09-05 EP disclosed
CN-102356500-A Ionic liquid, electrolyte, lithium secondary battery comprising same, and process for producing ionic liquid NIPPON SYNTHETIC CHEM IND 2012-02-15 CN disclosed
EP-2410601-A1 IONIC LIQUID, ELECTROLYTE, LITHIUM SECONDARY BATTERY COMPRISING SAME, AND PROCESS FOR PRODUCING IONIC LIQUID The Nippon Synthetic Chemical Industry Co., Ltd. (JP) 2012-01-25 EP disclosed
US-20110311865-A1 IONIC LIQUID, ELECTROLYTE, LITHIUM SECONDARY BATTERY USING THE SAME, AND PROCESS FOR PRODUCING IONIC LIQUID THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2011-12-22 US disclosed
US-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 US disclosed