Sugi Predict

Sugi Predict / Compounds / SCHEMBL14592452

SCHEMBL14592452

SCHEMBL14592452

CO[C@@H]1C[C@@H](CO[C@H]2CC[C@H](C(=O)O)CC2)N(C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2F)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 20/20 1.00
▸ ITGA4 P13612 20/20 1.00

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
SCHEMBL14592453 1.00 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592463 0.95 ITGA4 (0.90) ITGB1ITGA4
SCHEMBL14592451 0.95 ITGA4 (0.90) ITGB1ITGA4
SCHEMBL12863716 0.94 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL13437466 0.94 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14263692 0.94 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL92407 0.94 ITGB1 (0.88) ITGB1ITGA4
SCHEMBL84711 0.94 ITGB1 (0.88) ITGB1ITGA4
SCHEMBL10273789 0.94 ITGB1 (0.88) ITGB1ITGA4
SCHEMBL14592477 0.93 ITGB1 (0.87) 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