SCHEMBL5690702

SCHEMBL5690702

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)N3CCN(C4CC4)CC3)cc2)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.62
ITGA5 P08648 4/20 0.62
ITGA4 P13612 7/20 0.57
ITGAV P06756 6/20 0.56
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PLAU P00749 1/20 0.51
HPN P05981 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL5690845 0.92 ITGB1 (0.63) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL5690938 0.90 ITGB1 (0.50) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL5690742 0.88 ITGB1 (0.71) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL6709558 0.87 ITGB1 (0.69) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL3856923 0.86 ITGB1 (0.60) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL7326260 0.84 ITGB1 (0.85) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL7321522 0.84 ITGB1 (0.70) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL5691851 0.84 ITGB1 (0.65) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL7316664 0.84 ITGB1 (0.74) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL6709406 0.83 ITGB1 (0.64) ITGB1ITGA5ITGA4ITGAVMAPK1

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-1001974-B1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-05-24 EP claimed