SCHEMBL6690281

SCHEMBL6690281

NC(=O)CC(C(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
GAA P10253 1/20 0.64
POLB P06746 3/20 0.62
KDM4E B2RXH2 1/20 0.62
TP53 P04637 1/20 0.62
GLA P06280 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
HPGD P15428 1/20 0.62
ALOX12 P18054 1/20 0.62
NFKB1 P19838 1/20 0.62
APEX1 P27695 1/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
TNF P01375 6/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.52
PDE4A P27815 1/20 0.52

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
SCHEMBL623426 1.00 ALDH1A1 (0.64) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL31723954 0.88 ALDH1A1 (0.67) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL512529 0.86 ALDH1A1 (0.71) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL7288420 0.86 ALDH1A1 (0.71) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL2169473 0.85 TNF (0.50) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6261434 0.84 ALDH1A1 (0.47) ALDH1A1GAAPOLBKDM4ETP53
2-Phthalimidoglutaramic Acid SCHEMBL410167 0.84 ALDH1A1 (0.77) ALDH1A1GAAPOLBKDM4ETP53
2-Phthalimidoglutaramic Acid SCHEMBL411177 0.84 ALDH1A1 (0.77) ALDH1A1GAAPOLBKDM4ETP53
2-Phthalimidoglutaramic Acid SCHEMBL442029 0.84 ALDH1A1 (0.77) ALDH1A1GAAPOLBKDM4ETP53
2-Phthalimidoglutaramic Acid SCHEMBL14855879 0.84 ALDH1A1 (0.77) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP claimed
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP disclosed
US-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed
US-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US disclosed
EP-1004572-A2 Amines as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004580-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004581-A2 Process for the preparation of thalidomide CELGENE CORPORATION (US) 2000-05-31 EP disclosed
US-5877200-A Cyclic amides CELGENE CORPORATION (US) 1999-03-02 US disclosed
US-5698579-A INHIBITOR OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-16 US disclosed
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 US disclosed
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
US-5463063-A Preparation of thalidomide; inhibitor of tumor necrosis factor CELGENE CORPORATION (US) 1995-10-31 US disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed