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Sugi Predict / Compounds / SCHEMBL14592707

SCHEMBL14592707

SCHEMBL14592707

COC[C@@H]1C[C@@H](O[C@H]2CC[C@H](C(=O)O)CC2)CN1C(=O)Cc1cc(Cl)c(NC(=O)c2nn(C)c3ccccc23)cc1F

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 20/20 0.66
▸ ITGB1 P05556 19/20 0.66

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
SCHEMBL14592613 0.95 ITGA4 (0.59) ITGA4ITGB1
SCHEMBL14592487 0.92 ITGB1 (0.78) ITGA4ITGB1
SCHEMBL14592586 0.90 ITGB1 (0.67) ITGA4ITGB1
SCHEMBL14592657 0.88 ITGA4 (0.85) ITGA4ITGB1
SCHEMBL14592556 0.88 ITGB1 (0.69) ITGA4ITGB1
SCHEMBL14592353 0.88 ITGB1 (0.79) ITGA4ITGB1
SCHEMBL14592481 0.87 ITGA4 (0.70) ITGA4ITGB1
SCHEMBL14592683 0.87 ITGB1 (0.62) ITGA4ITGB1
SCHEMBL14592645 0.87 ITGB1 (0.62) ITGA4ITGB1
SCHEMBL14592522 0.86 ITGB1 (0.67) 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 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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