SCHEMBL14592228

SCHEMBL14592228

COC(=O)[C@H]1CC[C@H](OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(Nc3nc4ccccc4o3)c(Cl)c2)CC1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 20/20 0.87
▸ ITGB1 P05556 17/20 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
SCHEMBL14592130 0.93 ITGA4 (0.77) ITGA4ITGB1
SCHEMBL14592229 0.93 ITGB1 (1.00) ITGA4ITGB1
SCHEMBL14592250 0.93 ITGB1 (0.87) ITGA4ITGB1
SCHEMBL14592231 0.92 ITGA4 (0.75) ITGA4ITGB1
SCHEMBL14592245 0.91 ITGB1 (0.88) ITGA4ITGB1
SCHEMBL14592240 0.90 ITGA4 (0.89) ITGA4ITGB1
SCHEMBL14592252 0.89 ITGB1 (0.69) ITGA4ITGB1
SCHEMBL14592234 0.89 ITGA4 (0.69) ITGA4ITGB1
SCHEMBL14592113 0.88 ITGA4 (0.88) ITGA4ITGB1
SCHEMBL14592131 0.88 ITGA4 (0.77) 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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