SCHEMBL14592245

SCHEMBL14592245

COC(=O)[C@H]1CC[C@H](OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(Nc3nc4cccc(F)c4o3)c(Cl)c2)CC1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 20/20 0.88
▸ ITGA4 P13612 20/20 0.88

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
SCHEMBL14592246 0.93 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14592228 0.91 ITGA4 (0.87) ITGB1ITGA4
SCHEMBL14592250 0.87 ITGB1 (0.87) ITGB1ITGA4
SCHEMBL14592240 0.86 ITGA4 (0.89) ITGB1ITGA4
SCHEMBL14592130 0.85 ITGA4 (0.77) ITGB1ITGA4
SCHEMBL14592229 0.84 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL12327400 0.83 ITGB1 (0.77) ITGB1ITGA4
SCHEMBL14592231 0.83 ITGA4 (0.75) ITGB1ITGA4
SCHEMBL14592252 0.83 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL14592255 0.82 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 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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