SCHEMBL7705983

SCHEMBL7705983

CCCSc1cccc(NC(Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.72
ITGA4 P13612 20/20 0.72

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
SCHEMBL5366192 0.91 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL5362373 0.84 ITGB1 (0.71) ITGB1ITGA4
SCHEMBL5361624 0.83 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5377828 0.83 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL5361765 0.82 ITGB1 (0.69) ITGB1ITGA4
SCHEMBL5369343 0.82 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5365895 0.82 ITGB1 (0.68) ITGB1ITGA4
SCHEMBL5367013 0.81 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL6105592 0.81 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5368033 0.81 ITGB1 (0.73) 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-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 US disclosed