SCHEMBL14626979

SCHEMBL14626979

COC(=O)[C@H]1CC[C@H](OC[C@@H]2C[C@H](F)CN2C(=O)Cc2cc(CI)c(NC(=O)c3cn(C)c4cccc(F)c34)cc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 20/20 0.63
▸ ITGA4 P13612 20/20 0.63

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
SCHEMBL14592318 0.92 ITGA4 (0.75) ITGB1ITGA4
SCHEMBL14592319 0.86 ITGA4 (0.84) ITGB1ITGA4
SCHEMBL14592282 0.83 ITGA4 (0.89) ITGB1ITGA4
SCHEMBL14592308 0.80 ITGA4 (0.77) ITGB1ITGA4
SCHEMBL14592312 0.80 ITGA4 (0.77) ITGB1ITGA4
SCHEMBL14626984 0.80 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL14592306 0.79 ITGB1 (0.90) ITGB1ITGA4
SCHEMBL14626772 0.79 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL14771989 0.79 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL14592322 0.78 ITGB1 (0.85) 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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