SCHEMBL24933776

SCHEMBL24933776

COC[C@]1(C)COC[C@@H](COc2ccc(Br)cc2)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.33
PYGL P06737 1/20 0.32

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
SCHEMBL24933782 1.00 MAPT (0.36) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL30240866 1.00 MAPT (0.36) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL30240860 1.00 MAPT (0.36) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL29203540 1.00 MAPT (0.36) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL29203541 1.00 MAPT (0.36) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL30240870 0.92 ALDH1A1 (0.35) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL30240848 0.91 ALDH1A1 (0.38) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL24933066 0.88 TSHR (0.37) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL30240811 0.88 MAPT (0.37) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL30240843 0.88 ALDH1A1 (0.35) MAPTALDH1A1LMNAKDM4ETSHR

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
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed