SCHEMBL29055129

SCHEMBL29055129

CCOC(=O)C1(C)CC(c2cc(-c3ccc(C)cc3Cl)c(F)cc2Cl)=NO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ SSTR5 P35346 2/20 0.35
▸ ITGB1 P05556 4/20 0.35
▸ ITGA4 P13612 4/20 0.35
▸ HPGD P15428 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ DBF4 Q9UBU7 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL29055150 0.90 CA1 (0.46) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL29055127 0.89 MRGPRX4 (0.37) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL30525137 0.88 CA1 (0.37) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL29055121 0.88 CA1 (0.37) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL29055114 0.86 CA1 (0.35) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL30525122 0.86 CA1 (0.35) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL29055080 0.86 CA1 (0.35) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL29055104 0.85 CA1 (0.39) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL24485232 0.85 CA1 (0.41) CA1CA2SSTR5ITGB1ITGA4
SCHEMBL24485235 0.85 CA1 (0.42) CA1CA2SSTR5ITGB1ITGA4

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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