SCHEMBL29712903

SCHEMBL29712903

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SSTR5 P35346 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ P2RY12 Q9H244 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
SCHEMBL24485261 1.00 SSTR5 (0.34) SSTR5CA1CA2ALDH1A1MAPK1
SCHEMBL29055114 0.90 CA1 (0.35) SSTR5CA1CA2ITGB1ITGA4
SCHEMBL29055123 0.90 CA1 (0.35) SSTR5CA1CA2ALDH1A1ITGB1
SCHEMBL29055115 0.90 CA1 (0.35) SSTR5CA1CA2ITGB1ITGA4
SCHEMBL24485256 0.89 CA1 (0.35) SSTR5CA1CA2ITGB1ITGA4
SCHEMBL24485252 0.89 CA1 (0.36) SSTR5CA1CA2ALDH1A1ITGB1
SCHEMBL29712912 0.89 CA1 (0.36) SSTR5CA1CA2ALDH1A1ITGB1
SCHEMBL29055132 0.87 CA1 (0.36) SSTR5CA1CA2ALDH1A1ITGB1
SCHEMBL24485253 0.87 CA2 (0.33) SSTR5CA1CA2ITGB1ITGA4
SCHEMBL24485237 0.87 MEN1 (0.42) ALDH1A1MAPK1

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
EP-4250928-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2023-10-04 — — EP disclosed
WO-2022112072-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-06-02 — — WO disclosed
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