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SCHEMBL29375258

SCHEMBL29375258

CC(C)(O)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.45
▸ FNTB P49356 2/20 0.45
▸ CRYAB P02511 5/20 0.41
▸ CRYAA P02489 1/20 0.39
▸ ACHE P22303 2/20 0.37
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ PTGES O14684 2/20 0.33

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
SCHEMBL23699009 1.00 FNTA (0.45) FNTAFNTBCRYABCRYAAACHE
SCHEMBL29934953 0.81 FNTA (0.46) FNTAFNTBCRYABCRYAAACHE
SCHEMBL29934612 0.80 FNTA (0.44) FNTAFNTBCRYABCRYAAACHE
SCHEMBL29934735 0.74 FNTA (0.60) FNTAFNTBCRYABCRYAAACHE
SCHEMBL30584473 0.68 FNTA (0.46) FNTAFNTBCRYABCRYAAACHE
SCHEMBL29692186 0.67 CRYAB (0.77) FNTAFNTBCRYABCRYAAACHE
SCHEMBL17431762 0.67 CRYAB (0.77) FNTAFNTBCRYABCRYAAACHE
SCHEMBL22759983 0.67 CRYAB (0.64) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL22759984 0.67 CRYAB (0.64) FNTAFNTBCRYABCRYAAUSP2
SCHEMBL22760206 0.67 CRYAB (0.64) FNTAFNTBCRYABCRYAAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114354952-B Parkinson disease metabonomics biomarker and application thereof 首都医科大学宣武医院 2022-05-17 — — CN claimed
CN-114354952-A Parkinson disease metabonomics biomarker and application thereof 首都医科大学宣武医院 2022-04-15 — — CN claimed
CN-114264756-B Biomarker R1 for diagnosing parkinsonism and application thereof 宝枫生物科技（北京）有限公司 2024-02-06 — — CN disclosed
CN-114354952-B Parkinson disease metabonomics biomarker and application thereof 首都医科大学宣武医院 2022-05-17 — — CN disclosed
CN-114354952-B Parkinson disease metabonomics biomarker and application thereof 首都医科大学宣武医院 2022-05-17 — — CN disclosed
CN-114354952-A Parkinson disease metabonomics biomarker and application thereof 首都医科大学宣武医院 2022-04-15 — — CN disclosed
CN-114354952-A Parkinson disease metabonomics biomarker and application thereof 首都医科大学宣武医院 2022-04-15 — — CN disclosed
CN-114019078-B Application of biomarker for Parkinson's disease diagnosis 宝枫生物科技（北京）有限公司 2022-04-05 — — CN disclosed
CN-114264756-A Biomarker R1 for diagnosing Parkinson's disease and application thereof 宝枫生物科技（北京）有限公司 2022-04-01 — — CN disclosed
CN-114047281-B Combination of biomarkers for parkinson's disease and uses thereof 宝枫生物科技（北京）有限公司 2022-03-25 — — CN disclosed
CN-114019061-B Biomarker for Parkinson disease detection and application thereof 宝枫生物科技（北京）有限公司 2022-03-25 — — CN disclosed
CN-114019079-B Biomarker for diagnosing Parkinson's disease and application thereof 宝枫生物科技（北京）有限公司 2022-03-18 — — CN disclosed
CN-114047281-A Combination of biomarkers for parkinson's disease and uses thereof 宝枫生物科技（北京）有限公司 2022-02-15 — — CN disclosed
CN-114019061-A Biomarker for Parkinson disease detection and application thereof 宝枫生物科技（北京）有限公司 2022-02-08 — — CN disclosed
CN-114019079-A Biomarker for diagnosing Parkinson's disease and application thereof 宝枫生物科技（北京）有限公司 2022-02-08 — — CN disclosed
CN-114019078-A Biomarker for Parkinson disease diagnosis and application thereof 宝枫生物科技（北京）有限公司 2022-02-08 — — CN disclosed