SCHEMBL31576820

SCHEMBL31576820

CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.52
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALOX5 P09917 2/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ MAPT P10636 3/20 0.41
▸ DHODH Q02127 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ GLO1 Q04760 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.39
▸ CYP2C19 P33261 2/20 0.37
▸ APAF1 O14727 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
SCHEMBL31576807 0.82 MEN1 (0.54) CYP3A4MEN1KMT2AKDM4EALOX5
SCHEMBL31576808 0.82 RIPK2 (0.47) CYP3A4MEN1KMT2AKDM4EALOX5
SCHEMBL13922241 0.80 ALOX5 (0.52) CYP3A4MEN1KMT2AKDM4EALOX5
SCHEMBL29405771 0.79 ALOX5 (0.57) CYP3A4MEN1KMT2AKDM4EALOX5
SCHEMBL316240 0.78 ALOX5 (0.56) CYP3A4MEN1KMT2AKDM4EALOX5
SCHEMBL819253 0.76 ALOX5 (0.78) CYP3A4MEN1KMT2AKDM4EALOX5
SCHEMBL31576822 0.75 ALOX5 (0.53) CYP3A4MEN1KMT2AKDM4EALOX5
SCHEMBL817774 0.75 ALOX5 (0.53) CYP3A4MEN1KMT2AKDM4EALOX5
SCHEMBL23155161 0.74 ALOX5 (0.61) CYP3A4MEN1KMT2AKDM4EALOX5
SCHEMBL6269604 0.73 TRPV1 (0.42) MEN1KMT2AKDM4EALOX5AKR1B10

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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