SCHEMBL7098871

SCHEMBL7098871

Cc1cccc(C)c1C(=O)Nc1ccc(C[C@H](NC(=O)[C@H]2CC[C@@](C)(C(=O)O)C2(C)C)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.57
ITGA4 P13612 15/20 0.57
ITGA2 P17301 1/20 0.55
ITGB7 P26010 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7098865 1.00 ITGB1 (0.57) ITGB1ITGA4ITGA2ITGB7L3MBTL1
SCHEMBL7102179 0.94 ITGB1 (0.65) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7102180 0.94 ITGB1 (0.65) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7105444 0.90 ITGB1 (0.59) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7098677 0.90 ITGB1 (0.59) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7104171 0.90 ITGB1 (0.59) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7098060 0.90 ITGB1 (0.59) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7098073 0.90 ITGB1 (0.59) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7097651 0.90 ITGB1 (0.59) ITGB1ITGA4ITGA2ITGB7
SCHEMBL7100655 0.90 ITGB1 (0.59) ITGB1ITGA4ITGA2ITGB7

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
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP claimed