SCHEMBL27754527

SCHEMBL27754527

CCOc1c(C=O)cccc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ SRC P12931 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ GABRA1 P14867 4/20 0.38

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
SCHEMBL27806563 0.84 CA1 (0.45) CA1CA2ALDH1A1HPGDHTT
SCHEMBL16950925 0.84 GABRA1 (0.41) ALDH1A1SMN1; SMN2MAPTNPSR1L3MBTL1
SCHEMBL16950503 0.84 L3MBTL1 (0.40) ALDH1A1HPGDSMN1; SMN2MAPTNPSR1
SCHEMBL7102162 0.83 CA1 (0.59) CA1CA2ALDH1A1HPGDHTT
SCHEMBL6034516 0.82 PTGER4 (0.46) GAA
SCHEMBL14042113 0.82 PTGDR2 (0.55) CA1CA2SMN1; SMN2L3MBTL1LMNA
SCHEMBL14292801 0.81 CA1 (0.44) CA1CA2ALDH1A1HPGDHTT
SCHEMBL1253501 0.81 ALDH1A1 (0.50) CA1CA2ALDH1A1HPGDHTT
SCHEMBL181586 0.81 ALDH1A1 (0.50) CA1CA2ALDH1A1HPGDHTT
SCHEMBL29922833 0.81 ALDH1A1 (0.50) CA1CA2ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551066-A Coumarin-containing selective recognition Hg 2+ Fluorescent probe of (2) and method for producing the same 长春工业大学 2024-02-13 — — CN claimed
CN-112174921-A Glutathione fluorescence sensor molecule based on coumarin and dansyl amide and preparation method thereof 大连大学 2021-01-05 — — CN claimed
CN-109705847-B Sulfur dioxide ratiometric fluorescent probe and synthetic method and application thereof 济南大学 2020-07-07 — — CN claimed
CN-101514212-A Pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound and synthetic method thereof UNIV LIAONING (CN) 2009-08-26 — — CN claimed
CN-117658853-A Compound and preparation method and application thereof 集美大学 2024-03-08 — — CN disclosed
CN-117551066-A Coumarin-containing selective recognition Hg 2+ Fluorescent probe of (2) and method for producing the same 长春工业大学 2024-02-13 — — CN disclosed
CN-115322205-A Near-infrared two-region fluorescent dye, preparation method and anti-tumor application thereof 大连理工大学 2022-11-11 — — CN disclosed
CN-110804043-B Application of merocyanine-coumarin fluorophore in mitochondrial hydrogen sulfide detection 南京大学 2022-10-18 — — CN disclosed
CN-112174921-A Glutathione fluorescence sensor molecule based on coumarin and dansyl amide and preparation method thereof 大连大学 2021-01-05 — — CN disclosed
CN-109705847-B Sulfur dioxide ratiometric fluorescent probe and synthetic method and application thereof 济南大学 2020-07-07 — — CN disclosed
CN-110804043-A Application of merocyanine-coumarin fluorophore in mitochondrial hydrogen sulfide detection 南京大学 2020-02-18 — — CN disclosed
CN-101514212-B Synthetic method of pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound UNIV LIAONING 2011-11-09 — — CN disclosed
CN-101514212-A Pyridine-2''amino-2'-hydroxybenzene methanol phenylcarbinol boric acid ester compound and synthetic method thereof UNIV LIAONING (CN) 2009-08-26 — — CN disclosed
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