SCHEMBL6537539

SCHEMBL6537539

CCC1=C(N[C@@H](Cc2ccccc2NC(=O)c2c(Cl)cncc2Cl)C(=O)O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.45
ITGA4 P13612 20/20 0.45

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
SCHEMBL5416736 0.84 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL7259512 0.82 ITGB1 (0.45) ITGB1ITGA4
SCHEMBL7263947 0.76 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL7259522 0.76 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL3831801 0.75 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL6537543 0.74 ITGB1 (0.52) ITGB1ITGA4
SCHEMBL5259044 0.73 ITGB1 (0.46) ITGB1ITGA4
SCHEMBL5259869 0.73 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL5366262 0.70 ITGB1 (0.65) ITGB1ITGA4
SCHEMBL5366270 0.69 ITGB1 (0.72) 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-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed