SCHEMBL7316222

SCHEMBL7316222

CCOC(=O)c1ccc(OCC#Cc2ccc(CC(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.59
ITGB1 P05556 5/20 0.50
ITGA5 P08648 3/20 0.50
ITGB7 P26010 1/20 0.48
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ITGAV P06756 1/20 0.45
ITGA2 P17301 1/20 0.44
MMP1 P03956 6/20 0.42
MMP13 P45452 6/20 0.42
ADAM17 P78536 6/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
FKBP1A P62942 1/20 0.42

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
SCHEMBL7316216 1.00 ITGA4 (0.59) ITGA4ITGB1ITGA5ITGB7TSHR
SCHEMBL7507301 0.91 ITGA4 (0.50) ITGA4ITGB1ITGA5ITGB7TSHR
SCHEMBL7312726 0.91 ITGB1 (0.59) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL7312728 0.91 ITGB1 (0.59) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL7450450 0.90 ITGA4 (0.49) ITGA4ITGB1ITGA5ITGB7TSHR
SCHEMBL7450445 0.90 ITGA4 (0.49) ITGA4ITGB1ITGA5ITGB7TSHR
SCHEMBL7326273 0.87 ITGA4 (0.60) ITGA4ITGB1ITGA5ITGB7TSHR
SCHEMBL7326267 0.87 ITGA4 (0.60) ITGA4ITGB1ITGA5ITGB7TSHR
SCHEMBL7325791 0.83 ITGA4 (0.60) ITGA4ITGB1ITGA5ITGB7TSHR
SCHEMBL7325788 0.83 ITGA4 (0.60) ITGA4ITGB1ITGA5ITGB7TSHR

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 2 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