SCHEMBL31576807

SCHEMBL31576807

CC(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALOX5 P09917 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ AKR1B10 O60218 1/20 0.54
▸ FASN P49327 4/20 0.40
▸ ACHE P22303 1/20 0.38
▸ CYP3A4 P08684 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ PTPN1 P18031 2/20 0.35

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
SCHEMBL13922241 0.89 ALOX5 (0.52) MEN1KMT2AALOX5KDM4EAKR1B10
SCHEMBL29405771 0.87 ALOX5 (0.57) MEN1KMT2AALOX5KDM4EAKR1B10
SCHEMBL316240 0.86 ALOX5 (0.56) MEN1KMT2AALOX5KDM4EAKR1B10
SCHEMBL18324946 0.85 ALOX5 (0.48) MEN1KMT2AALOX5KDM4EAKR1B10
SCHEMBL26468487 0.85 ALOX5 (0.55) MEN1KMT2AALOX5KDM4EAKR1B10
SCHEMBL7897350 0.84 MEN1 (0.74) MEN1KMT2AALOX5KDM4EAKR1B10
SCHEMBL819253 0.84 ALOX5 (0.78) MEN1KMT2AALOX5KDM4EAKR1B10
SCHEMBL817774 0.83 ALOX5 (0.53) MEN1KMT2AALOX5KDM4EAKR1B10
SCHEMBL31576822 0.83 ALOX5 (0.53) MEN1KMT2AALOX5KDM4EAKR1B10
SCHEMBL23155161 0.82 ALOX5 (0.61) MEN1KMT2AALOX5KDM4EAKR1B10

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
WO-2025104281-A1 HOP DERIVED COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES CAUSED BY CORONAVIRUSES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2025-05-22 — — WO disclosed
EP-4556004-A1 HOP DERIVED COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES CAUSED BY CORONAVIRUSES Centre National de la Recherche Scientifique (FR) 2025-05-21 — — EP disclosed
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