SCHEMBL29055115

SCHEMBL29055115

CCOC(=O)C1(C)CC(c2cc(-c3ncc(F)cc3Cl)c(F)cc2Cl)=NO1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ SSTR5 P35346 2/20 0.34
▸ HTR5A P47898 1/20 0.32
▸ ITGB1 P05556 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CDC7 O00311 1/20 0.30
▸ DBF4 Q9UBU7 1/20 0.30

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
SCHEMBL29055132 0.95 CA1 (0.36) CA1CA2SSTR5HTR5AITGB1
SCHEMBL29055114 0.93 CA1 (0.35) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL29055123 0.93 CA1 (0.35) CA1CA2SSTR5HTR5AITGB1
SCHEMBL24485256 0.92 CA1 (0.35) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL24485252 0.91 CA1 (0.36) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL29712912 0.91 CA1 (0.36) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL24485261 0.90 SSTR5 (0.34) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL29712903 0.90 SSTR5 (0.34) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL24485253 0.89 CA2 (0.33) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL24485237 0.89 MEN1 (0.42) MEN1KMT2A

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-116568673-A Herbicidal compounds 先正达农作物保护股份公司 2023-08-08 — — CN disclosed
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