SCHEMBL8524045

SCHEMBL8524045

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR3 O14843 1/20 0.32
GAA P10253 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
TRPA1 O75762 1/20 0.30
TSHR P16473 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
SCHEMBL2505815 0.85 ALDH1A1 (0.38) ALDH1A1TDP1FFAR3HMGCRCHRM1
SCHEMBL938483 0.85 ALDH1A1 (0.38) ALDH1A1TDP1FFAR3HMGCRCHRM1
SCHEMBL42929 0.85 ALDH1A1 (0.38) ALDH1A1TDP1FFAR3HMGCRCHRM1
SCHEMBL1045038 0.83 TDP1 (0.38) ALDH1A1TDP1FFAR3
SCHEMBL2925268 0.80
SCHEMBL17762549 0.79
SCHEMBL4842766 0.77 LMNA (0.34) LMNA
SCHEMBL11397668 0.73
SCHEMBL1925937 0.73 ALDH1A1 (0.32) ALDH1A1TDP1LMNAGAAHMGCR
SCHEMBL4540907 0.73 ALDH1A1 (0.44) ALDH1A1TDP1FFAR3HMGCRCHRM1

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-119455008-A Nanocomposite and preparation method and application thereof 武汉轻工大学 2025-02-18 CN disclosed
CN-118903415-A Nanoparticle for tumor acoustic-dynamic combined personalized immunotherapy and preparation method and application thereof 中国医学科学院生物医学工程研究所 2024-11-08 CN disclosed
CN-116478956-B Cotton N-acetylglutamate kinase GhNAGK, coding gene and application thereof 中国农业大学 2023-09-22 CN disclosed
CN-116478956-A Cotton N-acetylglutamate kinase GhNAGK, coding gene and application thereof 中国农业大学 2023-07-25 CN disclosed
US-7423152-B2 Process for the manufacture of intermediates in camptothecin production HOFFMAN-LA ROCHE INC. (US) 2008-09-09 US disclosed
WO-1999044979-A1 AN AQUEOUS METHOD TO PREPARE CYCLOPROPYL METHYLKETONE FROM ACETYL-PROPANOL GREAT LAKES CHEMICAL CORPORATION (US) 1999-09-10 WO disclosed