SCHEMBL25296934

SCHEMBL25296934

COc1ccc(/C=C/C(=O)c2cc3c(cc2O)OC(C)(C)C=C3)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ XDH P47989 1/20 0.61
▸ CHRNA7 P36544 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ APP P05067 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ TNFRSF1A P19438 1/20 0.50
▸ ACHE P22303 1/20 0.49

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
SCHEMBL31376273 0.82 ACHE (0.73) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28390756 0.78 MAPT (0.82) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28390757 0.78 MAPT (0.82) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL634357 0.77 MAPT (1.00) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL634358 0.77 MAPT (1.00) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL634385 0.77 CHRNA7 (0.90) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL634386 0.77 CHRNA7 (0.90) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25294508 0.77 MAPT (0.59) MAPTNPC1RAB9AMEN1KMT2A
4-Hydroxyisolonchocarpin SCHEMBL13535456 0.77 XDH (0.81) MAPTMEN1KMT2AMAPK1XDH
SCHEMBL24728330 0.76 TNFRSF1A (0.50) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2810198-B1 ANTI-INVASIVE COMPOUNDS UNIV GENT (BE) 2023-07-12 — — EP disclosed
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