SCHEMBL30896274

SCHEMBL30896274

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 2/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30240840 1.00 TSHR (0.42) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL31108201 1.00 TSHR (0.42) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL30240906 1.00 TSHR (0.42) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL30240800 1.00 TSHR (0.42) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL24933035 0.85 TSHR (0.40) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL24933450 0.85 ALDH1A1 (0.42) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL24933310 0.85 ALDH1A1 (0.43) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL30896290 0.85 ALDH1A1 (0.43) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL24933387 0.85 ALDH1A1 (0.41) TSHRALDH1A1MAPTTP53HPGD
SCHEMBL30896278 0.85 ALDH1A1 (0.43) TSHRALDH1A1MAPTTP53HPGD

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
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