SCHEMBL4596321

SCHEMBL4596321

C=C(C(=O)OCCN)C(CCC)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ADRA1A P35348 2/20 0.38
AKR1A1 P14550 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 4/20 0.37
CYP3A4 P08684 2/20 0.36
NFKB1 P19838 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL4919357 0.94 CA2 (0.41) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL4912621 0.93 CA2 (0.36) HDAC1HDAC2CHRM1CHRM3ADRA1A
SCHEMBL4596306 0.90 CA2 (0.43) TSHRTHRBGRIK1SLC1A3SLC1A2
SCHEMBL124310 0.85 THRB (0.36) TSHRTHRBSLC1A3SLC1A2SLC1A1
SCHEMBL4916463 0.83 CA2 (0.49) TDP1TSHRCYP3A4NPSR1THRB
Iodomethane SCHEMBL716674 0.82 THRB (0.34) TSHRTHRBCA1CA2
SCHEMBL4915775 0.81 TSHR (0.34) TSHRTHRBCA1CA2ALDH1A1
SCHEMBL11675321 0.80 TSHR (0.48) CHRM1CHRM3TDP1TSHRCYP3A4
SCHEMBL11459359 0.79 TSHR (0.36) ADRA1ATSHRTHRBSLC1A3SLC1A2
SCHEMBL4923516 0.78 TSHR (0.33) TSHRTHRBSLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304757-B Block type ink resin and preparation method thereof 成都托展新材料股份有限公司 2023-08-11 CN claimed
CN-115501205-A Radiotherapy sensitization nano particle and preparation method thereof 中国医学科学院放射医学研究所 2022-12-23 CN claimed
US-20080293848-A1 SELF-POLISHING ANTI-FOULING COMPOSITIONS THE SHERWIN-WILLIAMS COMPANY (US) 2008-11-27 US claimed
WO-2008121308-A1 SELF-POLISHING ANTI-FOULING COMPOSITIONS THE SHERWIN-WILLIAMS COMPANY (US) 2008-10-09 WO claimed
CN-115501205-B Radiotherapy sensitization nanoparticle and preparation method thereof 中国医学科学院放射医学研究所 2023-08-18 CN disclosed
CN-115501205-A Radiotherapy sensitization nano particle and preparation method thereof 中国医学科学院放射医学研究所 2022-12-23 CN disclosed
CN-114144399-A pH-responsive composition and use thereof 德克萨斯大学系统董事会 2022-03-04 CN disclosed
CN-105287246-A Hair dye mixture containing monomer INTELLECTUAL PROPERTY WHOLLY OWNED CO LTD 2016-02-03 CN disclosed
CN-105287239-A Hair dye mixture containing (meth) acrylate compound INTELLECTUAL PROPERTY WHOLLY OWNED CO LTD 2016-02-03 CN disclosed
US-20080293848-A1 SELF-POLISHING ANTI-FOULING COMPOSITIONS THE SHERWIN-WILLIAMS COMPANY (US) 2008-11-27 US disclosed
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed
WO-2008121308-A1 SELF-POLISHING ANTI-FOULING COMPOSITIONS THE SHERWIN-WILLIAMS COMPANY (US) 2008-10-09 WO disclosed
US-20080057434-A1 METHOD OF PRODUCING NON-MAGNETIC ONE-COMPONENT TONER FOR DEVELOPING ELECTROSTATIC IMAGE ZEON CORPORATION (JP) 2008-03-06 US disclosed
EP-1137727-B1 AQUEOUS COATING COMPOSITIONS DU PONT (US) 2008-01-09 EP disclosed
EP-1619225-A2 Aqueous pigment dispersion E.I.Du pont de nemours and company (US) 2006-01-25 EP disclosed
EP-1137727-A1 AQUEOUS COATING COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-10-04 EP disclosed
US-6204319-B1 AB BLOCK COPOLYMER PIGMENT DISPERSANT RESIN OF AN A BLOCK OF A HYDROPHOBIC POLYMER HAVING AMINE GROUPS; AND A B BLOCK OF A HYDROPHILIC POLYMER HAVING HYDROXYL GROUPS AND CARBOXYL GROUPS E.I. DU PONT DE NEMOURS AND COMPANY 2001-03-20 US disclosed
WO-2000026308-A1 AQUEOUS COATING COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-11 WO disclosed
US-5478631-A Ink receptive layer containing pigment and binder of amphoteric latex KANZAKI PAPER MFG. CO., LTD. (JP) 1995-12-26 US disclosed
US-4020216-A Coating composition for flexible substrates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-26 US disclosed