SCHEMBL7319946

SCHEMBL7319946

Cc1ccc(S(=O)(=O)N(C(=O)[C@H]2NC(C)(C)CS2)[C@@H](Cc2ccc(OCCN(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
PPARG P37231 3/20 0.33
CNR2 P34972 1/20 0.33
LSS P48449 1/20 0.33
ADAM17 P78536 1/20 0.32
ESRRG P62508 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RCE1 Q9Y256 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LTA4H P09960 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL7314611 0.96 ITGB3 (0.35) KMT2AITGB3ITGA2BPPARGCNR2
SCHEMBL7318412 0.88 ALDH1A1 (0.37) KMT2ACNR2MEN1LTA4HALDH1A1
SCHEMBL3851526 0.87 PTGES (0.36) KMT2APPARGCNR2ADAMTS5TDP1
SCHEMBL7316484 0.86 F2 (0.33) KMT2AITGB3ITGA2BMEN1ALDH1A1
SCHEMBL7447670 0.86 ITGA4 (0.46) KMT2AADAM17ALDH1A1
SCHEMBL7421577 0.83 MMP9 (0.37) KMT2AADAMTS5MAPTMEN1GAA
SCHEMBL7320647 0.82 THRB (0.39) KMT2AMAPTMEN1L3MBTL1LMNA
SCHEMBL7323301 0.82 HRH1 (0.38)
SCHEMBL6712429 0.82 LMNA (0.40) KMT2AMAPTMEN1GAAALDH1A1
SCHEMBL7320271 0.82 ITGB3 (0.37) KMT2AITGB3ITGA2BPPARGCNR2

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
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