SCHEMBL7315498

SCHEMBL7315498

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.58
ITGA5 P08648 4/20 0.58
ITGA4 P13612 3/20 0.56
ITGAV P06756 5/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MMP8 P22894 2/20 0.47
MMP3 P08254 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
SCHEMBL7316198 1.00 ITGB1 (0.58) ITGB1ITGA5ITGA4ITGAVKMT2A
SCHEMBL7449154 0.96 ITGB1 (0.58) ITGB1ITGA5ITGA4ITGAVKMT2A
SCHEMBL7321647 0.92 ITGB1 (0.62) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL7317563 0.90 ITGB1 (0.63) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL5691000 0.86 ITGB1 (0.59) ITGB1ITGA5ITGA4ITGAVKMT2A
SCHEMBL5690998 0.86 ITGB1 (0.59) ITGB1ITGA5ITGA4ITGAVKMT2A
SCHEMBL5690742 0.86 ITGB1 (0.71) ITGB1ITGA5ITGA4ITGAVKMT2A
SCHEMBL7325049 0.85 ITGB1 (0.63) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL5690885 0.85 ITGB1 (0.58) ITGB1ITGA5ITGA4ITGAVMAPK1
SCHEMBL6709558 0.84 ITGB1 (0.69) ITGB1ITGA5ITGA4ITGAVKMT2A

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 4 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
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