SCHEMBL7905112

SCHEMBL7905112

Nc1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1.O=C(O)[C@@H]1CC(=S)CN1C(=O)Cc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 17/20 0.45
ITGB1 P05556 16/20 0.45
ITGB7 P26010 12/20 0.45
ITGA2 P17301 1/20 0.42
ITGA5 P08648 2/20 0.41
GPR132 Q9UNW8 1/20 0.41

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
SCHEMBL7902838 0.84 ITGB1 (0.43) ITGA4ITGB1ITGB7ITGA2
SCHEMBL7906199 0.82 ITGA4 (0.53) ITGA4ITGB1ITGB7ITGA5
SCHEMBL7908715 0.79 FNTA (0.33) GPR132
SCHEMBL3835768 0.74 ITGA4 (0.49) ITGA4ITGB1ITGB7ITGA2
SCHEMBL7896744 0.74 FNTA (0.34) GPR132
SCHEMBL181376 0.74 ITGB1 (0.65) ITGA4ITGB1ITGB7ITGA2ITGA5
SCHEMBL181378 0.74 ITGB1 (0.65) ITGA4ITGB1ITGB7ITGA2ITGA5
SCHEMBL7905110 0.72 GPR132 (0.37) ITGA4GPR132
SCHEMBL7905108 0.72 GPR132 (0.43) GPR132
SCHEMBL7428248 0.70 ITGA4 (0.76) ITGA4ITGB1ITGB7ITGA2ITGA5

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-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 US disclosed