SCHEMBL7325191

SCHEMBL7325191

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.61
ITGA5 P08648 4/20 0.61
ITGAV P06756 6/20 0.56
ITGA4 P13612 7/20 0.55
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PLAU P00749 1/20 0.45
HPN P05981 1/20 0.45
ITGB7 P26010 1/20 0.44

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
SCHEMBL7325692 0.92 ITGB1 (0.61) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7325907 0.89 ITGB1 (0.69) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7448876 0.88 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7317563 0.87 ITGB1 (0.63) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7446979 0.85 ITGB1 (0.59) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL5691000 0.84 ITGB1 (0.59) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL5690998 0.84 ITGB1 (0.59) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL5690742 0.84 ITGB1 (0.71) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7325049 0.84 ITGB1 (0.63) ITGB1ITGA5ITGAVITGA4MAPK1
SCHEMBL7315498 0.84 ITGB1 (0.58) 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