SCHEMBL139458

SCHEMBL139458

c1ccc([C]2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HPGD P15428 2/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 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
SCHEMBL448510 1.00 ALDH1A1 (0.44) ALDH1A1CHRNB4CHRNA3TSHRHTT
SCHEMBL447031 1.00 ALDH1A1 (0.44) ALDH1A1CHRNB4CHRNA3TSHRHTT
Biphenyl SCHEMBL29268822 0.97 ALDH1A1 (0.50) ALDH1A1CHRNB4CHRNA3TSHRHTT
Hydrochloric Acid SCHEMBL27482920 0.97 CHRNB4 (0.43) ALDH1A1CHRNB4CHRNA3TSHRHTT
SCHEMBL42579 0.97 ALDH1A1 (0.47) ALDH1A1CHRNB4CHRNA3TSHRHTT
SCHEMBL8938023 0.95 ALDH1A1 (0.47) ALDH1A1CHRNB4CHRNA3TSHRHTT
SCHEMBL27716629 0.95 ALDH1A1 (0.47) ALDH1A1CHRNB4CHRNA3TSHRHTT
SCHEMBL352236 0.91 ALDH1A1 (0.47) ALDH1A1CHRNB4CHRNA3TSHRHTT
Azobenzene SCHEMBL28287365 0.86 ALDH1A1 (0.52) ALDH1A1CHRNB4CHRNA3TSHRHTT
SCHEMBL27907573 0.86 ALDH1A1 (0.50) ALDH1A1CHRNB4CHRNA3PTGS2TDP1

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

Appears in 2726 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228684-A1 LIQUID CRYSTAL POLYMER FINE PARTICLES, AND METHOD FOR PRODUCING LIQUID CRYSTAL POLYMER FINE PARTICLES THE RITSUMEIKAN TRUST (JP) 2024-07-11 US claimed
CN-117222688-A Liquid crystal polymer microparticles and method for producing liquid crystal polymer microparticles 学校法人立命馆 2023-12-12 CN claimed
CN-112041321-B Anthradithiophene derivatives, process for preparing the same and polymers containing the same 艾尼股份公司 2023-11-14 CN claimed
CN-116656379-A Dichromatic dye composition and dye liquid crystal mixture containing dichromatic dye composition 北京八亿时空液晶科技股份有限公司 2023-08-29 CN claimed
CN-116535443-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2023-08-04 CN claimed
EP-4165033-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-04-19 EP claimed
CN-115424682-A Ethylene oligomerization catalyst molecule design method based on machine learning 华东理工大学 2022-12-02 CN claimed
WO-2022234837-A1 LIQUID CRYSTAL POLYMER FINE PARTICLES, AND METHOD FOR PRODUCING LIQUID CRYSTAL POLYMER FINE PARTICLES 学校法人立命館 2022-11-10 WO claimed
CN-111247405-B Polarization camera device 国立大学法人长冈技术科学大学 2022-10-18 CN claimed
WO-2021249449-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-12-16 WO claimed
EP-0243449-A1 CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN THE UPJOHN COMPANY (US) 1987-11-04 EP claimed
WO-1987002367-A2 CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN THE UPJOHN COMPANY (US) 1987-04-23 WO claimed
EP-0210909-A1 Alkylamino amides and their salts, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1987-02-04 EP claimed
EP-0079467-A1 N-substituted O-pyrazol-4-yl-carbamic-acid esters, process for their preparation and their use as biocides BAYER AG (DE) 1983-05-25 EP claimed
US-4370028-A Method of producing liquid crystal display devices with alignment layer formed from organic tin compound of the type Rn SnX4-n SIEMENS AKTIENGESELLSCHAFT (DE) 1983-01-25 US claimed
EP-0032397-A1 Method of manufacturing a liquid crystal display SIEMENS AKTIENGESELLSCHAFT (DE) 1981-07-22 EP claimed
US-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 US claimed
US-4177167-A OXIDES OF ALUMINUM AND CHROMIUM, LANTHANUM, COPPER, MANGANESE, OR ZONC STAILISED BY REACTION WITH SILICON COMPOUND SNAMPROGETTI S.P.A. (IT) 1979-12-04 US claimed
US-4038337-A CATALYST OF ALUMINA TREATED WITH SILICON COMPOUND SNAM PROGETTI S.P.A. (IT) 1977-07-26 US claimed
US-4006198-A ACTIVE ALUMINA MODIFIED WITH SILICON COMPOUND, CATALYST SNAM PROGETTI, S.P.A. (IT) 1977-02-01 US claimed