SCHEMBL7327808

SCHEMBL7327808

COC(=O)C(CC#Cc1ccc(CC(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C(=O)O)cc1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.45
MMP13 P45452 3/20 0.45
MMP3 P08254 2/20 0.45
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB1 P05556 3/20 0.43
ITGA4 P13612 3/20 0.43
MMP9 P14780 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7327806 1.00 MMP2 (0.45) MMP2MMP13MMP3MAPK1KMT2A
SCHEMBL7325748 0.89 MAPK1 (0.46) MMP2MMP13MMP3MAPK1KMT2A
SCHEMBL7325742 0.89 MAPK1 (0.46) MMP2MMP13MMP3MAPK1KMT2A
SCHEMBL7316305 0.88 MMP13 (0.48) MMP2MMP13MMP3MAPK1KMT2A
SCHEMBL7316300 0.88 MMP13 (0.48) MMP2MMP13MMP3MAPK1KMT2A
SCHEMBL7320770 0.84 MMP2 (0.48) MMP2MMP13MMP3MAPK1KMT2A
SCHEMBL7320767 0.84 MMP2 (0.48) MMP2MMP13MMP3MAPK1KMT2A
SCHEMBL5569684 0.82 STAT3 (0.50) MMP13MAPK1KMT2AITGB1ITGA4
SCHEMBL7325796 0.81 MAPK1 (0.48) MMP2MMP13MAPK1KMT2AITGB1
SCHEMBL7325803 0.81 MAPK1 (0.48) MMP2MMP13MAPK1KMT2AITGB1

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