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Sugi Predict / Compounds / SCHEMBL14626983

SCHEMBL14626983

SCHEMBL14626983

COC(=O)[C@H]1CC[C@H](OC[C@@H]2C[C@H](S(C)(=O)=O)CN2C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2F)CC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 20/20 0.77
▸ ITGB1 P05556 19/20 0.77

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
SCHEMBL14626771 0.94 ITGB1 (0.85) ITGA4ITGB1
SCHEMBL14592451 0.92 ITGA4 (0.90) ITGA4ITGB1
SCHEMBL14592282 0.92 ITGA4 (0.89) ITGA4ITGB1
SCHEMBL14592463 0.92 ITGA4 (0.90) ITGA4ITGB1
SCHEMBL14592501 0.91 ITGA4 (0.77) ITGA4ITGB1
SCHEMBL14592549 0.90 ITGA4 (0.75) ITGA4ITGB1
SCHEMBL14592467 0.89 ITGA4 (0.78) ITGA4ITGB1
SCHEMBL14592604 0.89 ITGA4 (0.74) ITGA4ITGB1
SCHEMBL14592475 0.89 ITGA4 (0.78) ITGA4ITGB1
SCHEMBL14626982 0.89 ITGA4 (0.61) ITGA4ITGB1

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
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
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