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Sugi Predict / Compounds / Chalcone

Chalcone

Chalcone

SCHEMBL27969784

O=C(C=Cc1ccccc1)c1ccccc1.c1c[nH]nn1

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 8/20 0.65
▸ MAPT P10636 6/20 0.65
▸ MAOB P27338 5/20 0.65
▸ BCHE P06276 2/20 0.65
▸ TNFRSF1A P19438 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ PLIN1 O60240 1/20 0.65
▸ ACHE P22303 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ PLIN5 Q00G26 1/20 0.65
▸ ABHD5 Q8WTS1 1/20 0.65
▸ CYP3A4 P08684 5/20 0.56
▸ CYP1A1 P04798 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ HSPD1 P10809 3/20 0.54
▸ HSPE1 P61604 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ NFKB2 Q00653 2/20 0.54

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
Chalcone SCHEMBL28113459 1.00 CYP1B1 (0.65) CYP1B1MAPTMAOBBCHETNFRSF1A
Chalcone SCHEMBL28299193 0.99 CYP1B1 (0.63) CYP1B1MAPTMAOBBCHETNFRSF1A
Cinnamic Acid SCHEMBL31491606 0.86 HCAR2 (0.61) CYP1B1MAPTMAOBBCHETNFRSF1A
(Z)-1,2-Diphenylethene SCHEMBL5933870 0.82 CYP11B1 (0.47) MAOBLMNACYP3A4CYP1A2CYP2D6
(Z)-1,2-Diphenylethene SCHEMBL5933868 0.82 CYP11B1 (0.47) MAOBLMNACYP3A4CYP1A2CYP2D6
(Z)-1,2-Diphenylethene SCHEMBL11496913 0.82 CYP11B1 (0.47) MAOBLMNACYP3A4CYP1A2CYP2D6
Phenylglyoxal SCHEMBL23748334 0.81 ALDH1A1 (0.60) CYP1B1MAPTMAOBBCHETNFRSF1A
Chalcone SCHEMBL28830017 0.81 CYP1B1 (0.67) CYP1B1MAPTMAOBBCHETNFRSF1A
Chalcone SCHEMBL28306727 0.81 CYP1B1 (0.67) CYP1B1MAPTMAOBBCHETNFRSF1A
(Z)-1,2-Diphenylethene SCHEMBL27676927 0.81 CYP11B1 (0.45) MAOBLMNACYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344299-A Triazole chalcone compound, and preparation method and application thereof 延边大学 2024-07-16 — — CN claimed
CN-118344299-A Triazole chalcone compound, and preparation method and application thereof 延边大学 2024-07-16 — — CN disclosed
CN-118344299-A Triazole chalcone compound, and preparation method and application thereof 延边大学 2024-07-16 — — CN disclosed
CN-118344299-A Triazole chalcone compound, and preparation method and application thereof 延边大学 2024-07-16 — — CN disclosed
CN-109851570-B Chalcone derivative containing 1,2, 4-triazine, preparation method and application thereof 贵州大学 2022-04-19 — — CN disclosed
CN-109824610-A A kind of chalcone derivative, preparation method and application containing quinoxaline 贵州大学 2019-05-31 — — CN disclosed
CN-109810068-A A kind of chalcone derivative, the Preparation method and use of Sulfide-containing Hindered triazole 贵州大学 2019-05-28 — — CN disclosed
CN-106279050-A The synthesis of organic sulfonic acid salt derivative and the application of one class water solublity containing double benzene triazole chalcone dyad 重庆大学 2017-01-04 — — CN disclosed
CN-103923026-B Containing the chalcone derivative of 1,2,3-triazole and preparation method and purposes THE XINJIANG TECHNICAL INSTITUTE OF PHYSICS & CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-16 — — CN disclosed
CN-103923026-A 1,2,3-triazole containing chalcone derivatives as well as preparation method and application XINJIANG TECH INST PHYSICS CAS 2014-07-16 — — CN disclosed
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