SCHEMBL7312923

SCHEMBL7312923

COC(=O)[C@H](Cc1ccc(NCCNC(=O)OCc2ccccc2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.55
MMP9 P14780 2/20 0.55
FKBP1A P62942 4/20 0.52
ITGB1 P05556 4/20 0.51
ITGA5 P08648 3/20 0.51
ITGA4 P13612 2/20 0.51
RAB9A P51151 1/20 0.47
ITGA2 P17301 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CTSK P43235 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ITGAV P06756 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
SCHEMBL7319731 0.95 ITGB1 (0.58) MMP2MMP9FKBP1AITGB1ITGA5
SCHEMBL6710652 0.88 ITGB1 (0.57) MMP2MMP9FKBP1AITGB1ITGA5
SCHEMBL7070012 0.85 FKBP1A (0.59) MMP2MMP9FKBP1AITGB1ITGA5
SCHEMBL7361018 0.83 ITGA4 (0.55) MMP2MMP9FKBP1AITGB1ITGA5
SCHEMBL5690625 0.83 MAPK1 (0.66) ITGB1ITGA5ITGA4L3MBTL1ALDH1A1
SCHEMBL3849601 0.83 ITGA4 (0.60) FKBP1AITGB1ITGA5ITGA4RAB9A
SCHEMBL5690691 0.83 FKBP1A (0.56) MMP2MMP9FKBP1AITGB1ITGA5
SCHEMBL5690857 0.82 ITGB1 (0.56) MMP2MMP9FKBP1AITGB1ITGA5
SCHEMBL5487316 0.82 FKBP1A (0.61) MMP2MMP9FKBP1AITGB1ITGA4
SCHEMBL7069672 0.82 ITGB1 (0.64) MMP2MMP9FKBP1AITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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