SCHEMBL28973285

SCHEMBL28973285

O=C(CO)c1ccc(O)c(I)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.49
▸ EYA3 Q99504 1/20 0.41
▸ PKM P14618 1/20 0.39
▸ PLAA Q9Y263 3/20 0.39
▸ ALPG P10696 5/20 0.38
▸ POLB P06746 4/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ HPGD P15428 2/20 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
SCHEMBL27750268 0.82 ESR1 (0.55) ESR1EYA3PKML3MBTL1KDM4E
SCHEMBL3627207 0.82 PTPN1 (0.53) ESR1EYA3PLAAALPG
SCHEMBL31509307 0.81 CA12 (0.58) ESR1PLAAALPGPOLBL3MBTL1
SCHEMBL105705 0.81 CA12 (0.58) ESR1PLAAALPGPOLBL3MBTL1
SCHEMBL27769961 0.79 CA12 (0.56) ESR1PLAAALPGPOLBL3MBTL1
SCHEMBL28129734 0.79 EYA3 (0.53) ESR1EYA3PKMPOLBL3MBTL1
SCHEMBL566608 0.77 CA12 (0.64) ESR1EYA3POLBL3MBTL1KDM4E
SCHEMBL30329647 0.77 CA12 (0.64) ESR1EYA3POLBL3MBTL1KDM4E
SCHEMBL26828019 0.77 ESR1 (0.46) ESR1EYA3THRATHRBABCB11
SCHEMBL28440957 0.76 SNCA (0.50) ESR1KDM4ELMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850219-B Eupatorium open chain polymer, preparation method and application 三峡大学 2024-05-28 — — CN claimed
CN-115850219-A Eupatorin open-chain polymer, preparation method and application 三峡大学 2023-03-28 — — CN claimed
CN-115850219-B Eupatorium open chain polymer, preparation method and application 三峡大学 2024-05-28 — — CN disclosed
CN-115850219-A Eupatorin open-chain polymer, preparation method and application 三峡大学 2023-03-28 — — CN disclosed
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