SCHEMBL29494186

SCHEMBL29494186

C=C1CC[C@@H](O)[C@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@@H]3[C@@]12O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 1.00
▸ CYP3A4 P08684 5/20 0.41
▸ RECQL P46063 2/20 0.39
▸ CYP19A1 P11511 1/20 0.37
▸ ICAM1 P05362 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PAX8 Q06710 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ TAS2R46 P59540 4/20 0.32
▸ TAS2R31 P59538 2/20 0.32
▸ TAS2R10 Q9NYW0 2/20 0.32

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
SCHEMBL29363077 1.00 ATM (1.00) ATMCYP3A4RECQLCYP19A1ICAM1
SCHEMBL29694449 0.81 ATM (0.67) ATMCYP3A4RECQLCYP19A1ICAM1
SCHEMBL29625296 0.71 ATM (0.55) ATMCYP3A4RECQLCYP19A1ICAM1
SCHEMBL31058464 0.68 ATM (0.51) ATMCYP3A4RECQLCYP19A1ICAM1
SCHEMBL20877882 0.59 ICAM1 (0.52) ATMCYP3A4RECQLCYP19A1ICAM1
SCHEMBL27949123 0.59 RECQL (0.48) ATMCYP3A4RECQLCYP19A1ICAM1
SCHEMBL4998367 0.59 RECQL (0.48) ATMCYP3A4RECQLCYP19A1ICAM1
SCHEMBL23007994 0.58 ICAM1 (0.44) ATMCYP3A4RECQLCYP19A1ICAM1
SCHEMBL21475315 0.58 ICAM1 (0.44) ATMCYP3A4RECQLCYP19A1ICAM1
SCHEMBL21475309 0.58 ICAM1 (0.44) ATMCYP3A4RECQLCYP19A1ICAM1

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-114292253-B Sesquiterpenoids in artemisia anomala as well as preparation method and application thereof 中国科学院新疆理化技术研究所 2023-08-15 — — CN claimed
CN-114292253-A Sesquiterpenoids in artemisia aeerosa, preparation method and application 中国科学院新疆理化技术研究所 2022-04-08 — — CN claimed
CN-114292253-B Sesquiterpenoids in artemisia anomala as well as preparation method and application thereof 中国科学院新疆理化技术研究所 2023-08-15 — — CN disclosed
CN-114292253-B Sesquiterpenoids in artemisia anomala as well as preparation method and application thereof 中国科学院新疆理化技术研究所 2023-08-15 — — CN disclosed
CN-114292253-A Sesquiterpenoids in artemisia aeerosa, preparation method and application 中国科学院新疆理化技术研究所 2022-04-08 — — CN disclosed
CN-114292253-A Sesquiterpenoids in artemisia aeerosa, preparation method and application 中国科学院新疆理化技术研究所 2022-04-08 — — CN disclosed
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