SCHEMBL7326260

SCHEMBL7326260

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

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.85
ITGA5 P08648 4/20 0.85
ITGAV P06756 6/20 0.66
ITGA4 P13612 5/20 0.60
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PLAU P00749 1/20 0.54
HPN P05981 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.50

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
SCHEMBL16598428 0.92 ITGB1 (1.00) ITGB1ITGA5ITGAVITGA4
SCHEMBL18339181 0.92 ITGB1 (1.00) ITGB1ITGA5ITGAVITGA4
SCHEMBL18349176 0.92 ITGB1 (1.00) ITGB1ITGA5ITGAVITGA4
SCHEMBL5690742 0.92 ITGB1 (0.71) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7319362 0.92 ITGB1 (0.79) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7321522 0.91 ITGB1 (0.70) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7316664 0.91 ITGB1 (0.74) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL6709558 0.90 ITGB1 (0.69) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7325907 0.90 ITGB1 (0.69) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7327703 0.88 ITGB1 (0.70) ITGB1ITGA5ITGAVITGA4MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492421-B1 BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA ATHENA NEUROSCIENCES, INC. 2002-12-10 US claimed
EP-1001972-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-6492421-B1 BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA ATHENA NEUROSCIENCES, INC. 2002-12-10 US disclosed
EP-1001972-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed