SCHEMBL7679807

SCHEMBL7679807

CC(C)c1cccc2c1CN(C(CCC(=O)O)C(N)=O)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 3/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SDCBP O00560 3/20 0.35

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
SCHEMBL7677784 0.91 KDM4E (0.50) KDM4EPOLBALDH1A1TP53GLA
SCHEMBL7680568 0.88 KMT2A (0.41) KDM4EPOLBALDH1A1ALOX15KMT2A
SCHEMBL7680067 0.86 ALOX15 (0.46) KDM4EPOLBALDH1A1TP53GLA
SCHEMBL7673144 0.86 KDM4E (0.44) KDM4EPOLBALDH1A1TP53GLA
SCHEMBL7677476 0.85 KDM4E (0.43) KDM4EPOLBALDH1A1TP53GLA
SCHEMBL2257304 0.85 KDM4E (0.45) KDM4EPOLBALDH1A1TP53GLA
SCHEMBL501841 0.85 KDM4E (0.45) KDM4EPOLBALDH1A1TP53GLA
SCHEMBL20425363 0.85 KDM4E (0.45) KDM4EPOLBALDH1A1TP53GLA
SCHEMBL30677181 0.85 KDM4E (0.45) KDM4EPOLBALDH1A1TP53GLA
SCHEMBL23355757 0.84 KDM4E (0.44) KDM4EPOLBALDH1A1TP53GLA

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-6380239-B1 FOR THERAPY OF ARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, REPERFUSION INJURY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE COLITIS, SYSTEMIC LUPUS ERYTHREMATOSIS, SCLERODERMA, APHTHOUS ULCERS, ASTHMA CELGENE CORPORATION 2002-04-30 US disclosed
CN-1342146-A Substituted 1-oxo-and 1, 3-dioxoisoindolines and their use in pharmaceutical compositions for reducing inflammatory cytokine levels CELGENE CORP (US) 2002-03-27 CN disclosed
EP-1163219-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2001-12-19 EP disclosed
WO-2000055134-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2000-09-21 WO disclosed