SCHEMBL14592271

SCHEMBL14592271

COC(=O)[C@H]1CC[C@H](OC[C@@H]2C[C@H](F)CN2C(=O)Cc2cc(Cl)c(Nc3nc4ccccc4s3)cc2F)CC1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 20/20 0.87
▸ ITGB1 P05556 19/20 0.87

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
SCHEMBL14592272 0.93 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592285 0.93 ITGB1 (0.88) ITGA4ITGB1
SCHEMBL14592255 0.89 ITGB1 (0.87) ITGA4ITGB1
SCHEMBL14592277 0.86 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592252 0.86 ITGB1 (0.69) ITGA4ITGB1
SCHEMBL14592258 0.83 ITGB1 (0.87) ITGA4ITGB1
SCHEMBL14592276 0.83 ITGB1 (0.87) ITGA4ITGB1
SCHEMBL14592256 0.82 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592264 0.82 ITGB1 (0.87) ITGA4ITGB1
SCHEMBL14592261 0.82 ITGB1 (0.89) 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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