SCHEMBL1980133

SCHEMBL1980133

CC(C)N(PCCC#N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NLRP3 Q96P20 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL26560213 0.88 TSHR (0.39) TSHRALDH1A1TDP1NLRP3
SCHEMBL27432162 0.67 MEN1 (0.34) TSHR
SCHEMBL497689 0.67 TSHR (0.32) TSHR
Hydrochloric Acid SCHEMBL6005400 0.66 TSHR (0.31) TSHR
SCHEMBL7586060 0.62
SCHEMBL27528744 0.62
SCHEMBL8328895 0.62 TDP1 (0.38) TSHRALDH1A1TDP1
SCHEMBL1524334 0.62 MEN1 (0.43) TSHRALDH1A1TDP1NLRP3CYP1A2
SCHEMBL150064 0.62 MEN1 (0.43) TSHRALDH1A1TDP1NLRP3CYP1A2
SCHEMBL7319284 0.62 TSHR (0.40) TSHRALDH1A1TDP1NLRP3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118931906-A 10-23DNAzyme capable of controlling light-operated bioorthogonal regulation and preparation method and application thereof 兰州交通大学 2024-11-12 CN disclosed
US-20210395729-A1 Compositions and methods for Editing Nucleic Acids in Cells Utilizing Oligonucleotides ETAGEN PHARMA, INC. 2021-12-23 US disclosed
WO-2021102367-A1 ENGINEERED DNA FOR MOLECULAR ELECTRONICS UNIVERSAL SEQUENCING TECHNOLOGY CORPORATION (US) 2021-05-27 WO disclosed
WO-2011064559-A2 NOVEL INOSITOL PHOSPHATE DERIVATIVES QUEEN MARY AND WESTFIELD COLLEGE, UNIVERSITY OF LONDON (GB) 2011-06-03 WO disclosed
US-6017895-A Oligonucleotides possessing zwitterionic moieties GENZYME CORPORATION (US) 2000-01-25 US disclosed
WO-1993015742-A1 OLIGONUCLEOTIDES HAVING ZWITTERIONIC MOIETIES PHARMAGENICS, INC. (US) 1993-08-19 WO disclosed