SCHEMBL7319356

SCHEMBL7319356

CNCC(=O)Nc1ccc(C[C@@H](C(=O)O)N(C(=O)[C@H]2NC(C)(C)CS2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
THRB P10828 2/20 0.36
MAPT P10636 5/20 0.36
POLB P06746 2/20 0.36
MMP9 P14780 1/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RORC P51449 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7320647 0.91 THRB (0.39) THRBMAPTPOLBMMP9LMNA
SCHEMBL6712429 0.90 LMNA (0.40) MAPTPOLBMMP9LMNATP53
SCHEMBL7421577 0.88 MMP9 (0.37) CA1CA2THRBMAPTPOLB
SCHEMBL6712491 0.87 MMP9 (0.48) CA1THRBMAPTMMP9LMNA
SCHEMBL7446810 0.87 ITGB1 (0.51) L3MBTL1
SCHEMBL5690666 0.85 MAPT (0.37) MAPTPOLBMMP9LMNATP53
SCHEMBL7189352 0.85 MMP9 (0.42) CA1MAPTMMP9LMNAMEN1
SCHEMBL7322285 0.85 MAPT (0.36) THRBMAPTMMP9LMNATP53
SCHEMBL7538007 0.85 MMP9 (0.46) CA1CA2THRBMAPTMMP9
SCHEMBL7449470 0.84 ITGB1 (0.48) L3MBTL1

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