SCHEMBL30716136

SCHEMBL30716136

CC(CCc1ncccc1C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
AGER Q15109 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
NAPRT Q6XQN6 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
MYC P01106 1/20 0.41
CYP2C9 P11712 1/20 0.39

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
SCHEMBL29201831 1.00 KDM4E (0.46) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL2749868 0.88 KDM4E (0.49) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL2131018 0.82 KDM4E (0.44) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL258368 0.79 KDM4E (0.53) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL5739430 0.78 KDM4E (0.52) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL22922739 0.78 KDM4E (0.52) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL11284703 0.77 NAPRT (0.56) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL9858538 0.77 KDM4E (0.55) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL4005286 0.76 GABRP (0.56) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL2749775 0.76 KDM4E (0.50) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117637186-B Method for screening and preparing active molecule group in tripterygium plants and application thereof 重庆市中药研究院 2024-10-22 CN claimed
CN-117338831-B Tripterygium wilfordii hook extract and preparation method and application thereof 重庆市中药研究院 2024-12-03 CN disclosed
CN-117637186-B Method for screening and preparing active molecule group in tripterygium plants and application thereof 重庆市中药研究院 2024-10-22 CN disclosed
CN-117637186-A Method for screening and preparing active molecule group in tripterygium plants and application thereof 重庆市中药研究院 2024-03-01 CN disclosed
CN-117338831-A Low-toxicity tripterygium wilfordii extract and preparation method and application thereof 重庆市中药研究院 2024-01-05 CN disclosed