SCHEMBL26488602

SCHEMBL26488602

COC(=O)C1CCOc2ccc(Cl)cc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.46
ADRA2A P08913 1/20 0.42
NPC1 O15118 1/20 0.42
PTGDR2 Q9Y5Y4 8/20 0.41
HCRTR2 O43614 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL10898016 0.86 HCRTR2 (0.48) HCRTR2MAPT
SCHEMBL9431997 0.83 TRPV1 (0.41) NPC1PTGDR2HCRTR2
SCHEMBL5846860 0.83 SLC6A4 (0.39)
SCHEMBL5846862 0.83 SLC6A4 (0.39)
SCHEMBL5846869 0.83 SLC6A4 (0.39)
SCHEMBL23705293 0.83 ADRA2A (0.42) ADRA2ANPC1PTGDR2HCRTR2MAPT
SCHEMBL27395538 0.83 MAP3K14 (0.46) MAP3K14ADRA2ANPC1PTGDR2HCRTR2
SCHEMBL4879254 0.83 NPC1 (0.45) MAP3K14NPC1TP53MAPTTHRB
SCHEMBL1846189 0.82 MAP3K14 (0.50) MAP3K14ADRA2APTGDR2
SCHEMBL5847548 0.82 TSHR (0.37) PTGDR2MAPT

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-2023195529-A1 URACIL DERIVATIVE HAVING VIRAL GROWTH INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 2023-10-12 WO disclosed
WO-2023195530-A1 URACIL DERIVATIVE HAVING VIRAL GROWTH INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 2023-10-12 WO disclosed