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Sugi Predict / Compounds / SCHEMBL14592649

SCHEMBL14592649

SCHEMBL14592649

CO[C@H]1C[C@@H](CO[C@H]2CC[C@H](C(=O)O)CC2)N(C(=O)Cc2cc(Cl)c(NC(=O)c3nsc4ccccc34)cc2F)C1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 20/20 0.85
▸ ITGA4 P13612 20/20 0.85

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
SCHEMBL14592342 0.92 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592487 0.87 ITGB1 (0.78) ITGB1ITGA4
SCHEMBL14592341 0.84 ITGB1 (0.84) ITGB1ITGA4
SCHEMBL14592453 0.84 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592452 0.84 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592481 0.82 ITGA4 (0.70) ITGB1ITGA4
SCHEMBL10225820 0.81 ITGB1 (0.68) ITGB1ITGA4
SCHEMBL85482 0.81 ITGB1 (0.68) ITGB1ITGA4
SCHEMBL85413 0.81 ITGB1 (0.68) ITGB1ITGA4
SCHEMBL14254469 0.81 ITGB1 (0.76) ITGB1ITGA4

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