SCHEMBL6517864

SCHEMBL6517864

CCOC(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)OC

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
SCHEMBL6508750 0.92 ITGB1 (0.76) ITGB1ITGA4
SCHEMBL6515360 0.88 ITGB1 (0.67) ITGB1ITGA4
SCHEMBL6513562 0.88 ITGB1 (0.61) ITGB1ITGA4
SCHEMBL6512755 0.87 ITGB1 (0.68) ITGB1ITGA4
SCHEMBL4316611 0.86 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL13913372 0.86 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL6519624 0.85 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL13843664 0.81 ITGB1 (0.60) ITGB1ITGA4
SCHEMBL5261605 0.81 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL13932614 0.81 ITGB1 (0.58) 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-6911451-B1 Phenylalanine derivatives CELLTECH R&D LIMITED (GB) 2005-06-28 US disclosed