SCHEMBL6259357

SCHEMBL6259357

CCc1cccc2c1C(=O)N(C(CC(N)=O)C(=O)O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
POLB P06746 4/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TNF P01375 9/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41

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
SCHEMBL6259322 0.91 ALDH1A1 (0.42) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6258752 0.90 POLB (0.49) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6260775 0.89 ALDH1A1 (0.40) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6258804 0.88 KMT2A (0.57) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6261434 0.87 ALDH1A1 (0.47) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL2169473 0.85 TNF (0.50) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6261421 0.85 POLB (0.49) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6257615 0.84 ALDH1A1 (0.44) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6260327 0.82 PDE4A (0.46) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6690281 0.82 ALDH1A1 (0.64) ALDH1A1GAAPOLBKDM4ETP53

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
EP-1163219-B1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORP (US) 2005-10-12 EP disclosed
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
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