SCHEMBL680552

SCHEMBL680552

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OO[C@H]5CC[C@@]6(C)C(=CC[C@H]7[C@@H]8CC[C@H]([C@H](C)CCCC(C)C)[C@@]8(C)CC[C@@H]76)C5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 2/20 0.78
POLA1 P09884 1/20 0.77
OSBP P22059 4/20 0.77
RORC P51449 3/20 0.77
USP2 O75604 2/20 0.77
OSBP2 Q969R2 2/20 0.77
LMNA P02545 1/20 0.77
ABCB1 P08183 1/20 0.77
GRIN1 Q05586 2/20 0.65
GRIN2A Q12879 2/20 0.65
NR1H3 Q13133 3/20 0.65
GBA1 P04062 2/20 0.64
UGCG Q16739 2/20 0.64
GBA2 Q9HCG7 2/20 0.64
NPC1L1 Q9UHC9 3/20 0.62
CRYAB P02511 1/20 0.62
HMGCR P04035 1/20 0.62
ITGB3 P05106 1/20 0.62
ITGAV P06756 1/20 0.62
SREBF2 Q12772 1/20 0.62

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
SCHEMBL26048184 0.94 CYP46A1 (0.73) CYP46A1POLA1OSBPRORCUSP2
SCHEMBL26048317 0.94 CYP46A1 (0.73) CYP46A1POLA1OSBPRORCUSP2
SCHEMBL27545186 0.94 CYP46A1 (0.78) CYP46A1POLA1OSBPRORCUSP2
SCHEMBL285826 0.94 CYP46A1 (0.78) CYP46A1POLA1OSBPRORCUSP2
SCHEMBL93852 0.94 CYP46A1 (0.78) CYP46A1POLA1OSBPRORCUSP2
SCHEMBL24405093 0.93 CYP46A1 (0.77) CYP46A1POLA1OSBPRORCUSP2
SCHEMBL22013894 0.93 CYP46A1 (0.77) CYP46A1POLA1OSBPRORCUSP2
SCHEMBL15150903 0.93 CYP46A1 (0.77) CYP46A1POLA1OSBPRORCUSP2
SCHEMBL20924867 0.93 CYP46A1 (0.77) CYP46A1POLA1OSBPRORCUSP2
SCHEMBL21707464 0.93 CYP46A1 (0.77) CYP46A1POLA1OSBPRORCUSP2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947956-B Diselenide with targeting and responsiveness, and preparation method and application thereof 南京工业大学 2024-01-19 CN claimed
CN-116947956-A Diselenide with targeting and responsiveness, and preparation method and application thereof 南京工业大学 2023-10-27 CN claimed
EP-2455749-A1 METHOD FOR ELECTRIC MEASUREMENT OF PEROXIDE USING CNT SENSOR National University Corporation Hokkaido University (JP) 2012-05-23 EP claimed
US-20120118761-A1 METHOD FOR ELECTRIC MEASUREMENT OF PEROXIDE USING CNT SENSOR HEALTH SCIENCES UNIVERSITY OF HOKKAIDO (JP) 2012-05-17 US claimed
JP-8248022-A None JP disclosed
JP-8248022-A None JP disclosed
WO-2025110816-A1 COMBINATION THERAPY OF ANTICANCER TREATMENT WITH TOLL-LIKE RECEPTOR 7 OR 8 AGONIST HAVING ACTIVE SITE TEMPORARILY INACTIVATED FOR CANCER TREATMENT 프로지니어 주식회사 2025-05-30 WO disclosed
CN-116947956-B Diselenide with targeting and responsiveness, and preparation method and application thereof 南京工业大学 2024-01-19 CN disclosed
CN-116947956-B Diselenide with targeting and responsiveness, and preparation method and application thereof 南京工业大学 2024-01-19 CN disclosed
CN-116947956-A Diselenide with targeting and responsiveness, and preparation method and application thereof 南京工业大学 2023-10-27 CN disclosed
CN-116947956-A Diselenide with targeting and responsiveness, and preparation method and application thereof 南京工业大学 2023-10-27 CN disclosed
CN-115003312-A High density lipoprotein-like nanoparticles as inducers of iron death in cancer 西北大学 2022-09-02 CN disclosed
EP-2455749-A1 METHOD FOR ELECTRIC MEASUREMENT OF PEROXIDE USING CNT SENSOR National University Corporation Hokkaido University (JP) 2012-05-23 EP disclosed
US-20120118761-A1 METHOD FOR ELECTRIC MEASUREMENT OF PEROXIDE USING CNT SENSOR HEALTH SCIENCES UNIVERSITY OF HOKKAIDO (JP) 2012-05-17 US disclosed
US-20110288012-A1 NUTRITION COMPOSITION AJINOMOTO CO., INC. (JP) 2011-11-24 US disclosed
EP-2374452-A1 NUTRIENT COMPOSITION Ajinomoto Co., Inc. (JP) 2011-10-12 EP disclosed
CN-102166164-A Cosmetic composition UNIV TSINGHUA 2011-08-31 CN disclosed
JP-H08248022-A DETERMINATION OF SKIN CHOLESTEROL PEROXIDE KANEBO LTD 1996-09-27 JP disclosed
JP-H08248022-A DETERMINATION OF SKIN CHOLESTEROL PEROXIDE KANEBO LTD 1996-09-27 JP disclosed
US-5100662-A Steroidal liposomes exhibiting enhanced stability THE LIPOSOME COMPANY, INC. (US) 1992-03-31 US disclosed