SCHEMBL28953088

SCHEMBL28953088

C=C1C(=O)O[C@@H]2C=C(C)[C@@H]3CCC(CO)=C[C@@H]3[C@H]12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAS2R46 P59540 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TERT O14746 1/20 0.46
▸ PTPN1 P18031 4/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ PTPN2 P17706 1/20 0.37

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
SCHEMBL28964824 0.79 PKM (0.41) TAS2R46PKMMEN1RECQLKMT2A
SCHEMBL30444013 0.74 PKM (0.56) TAS2R46PKMMEN1RECQLKMT2A
SCHEMBL31487118 0.74 PKM (0.74) TAS2R46PKMMEN1RECQLKMT2A
SCHEMBL31238130 0.70 TAS2R46 (0.54) TAS2R46PKMMEN1RECQLKMT2A
Salonitenolide SCHEMBL29391892 0.69 PTPN1 (0.51) TAS2R46PKMMEN1RECQLKMT2A
Tatridin A SCHEMBL30312770 0.68 TAS2R46 (0.51) TAS2R46PKMMEN1RECQLKMT2A
Tatridin A SCHEMBL30834799 0.68 TAS2R46 (0.51) TAS2R46PKMMEN1RECQLKMT2A
SCHEMBL10307302 0.67 TAS2R46 (0.67) TAS2R46PKMMEN1RECQLKMT2A
SCHEMBL22645251 0.67 TAS2R46 (0.67) TAS2R46PKMMEN1RECQLKMT2A
SCHEMBL22645250 0.67 TAS2R46 (0.67) TAS2R46PKMMEN1RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057679-B 4 novel sesquiterpene lactone compounds separated from burdock leaves and preparation method and application thereof 河南中医药大学 2023-12-01 — — CN disclosed
CN-114057679-A 4 new sesquiterpene lactone compounds separated from burdock leaves and preparation method and application thereof 河南中医药大学 2022-02-18 — — CN disclosed
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