SCHEMBL7872598

SCHEMBL7872598

COC(=O)CC(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.55
ITGB3 P05106 1/20 0.51
ITGA2 P17301 1/20 0.51
KCNH2 Q12809 1/20 0.49
HPGD P15428 1/20 0.48
PGR P06401 1/20 0.48
AR P10275 1/20 0.48
MAPT P10636 5/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5 P09917 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7867657 0.89 SETD7 (0.59) TNFITGB3ITGA2HPGDMAPT
SCHEMBL7876199 0.84 HPGD (0.52) TNFHPGDMAPTKMT2ALMNA
SCHEMBL7876448 0.84 POLB (0.58) TNFITGB3ITGA2HPGDMAPT
SCHEMBL7872607 0.79 TAS1R3 (0.53) TNFITGB3ITGA2HPGDMAPT
SCHEMBL5700847 0.77 ROCK2 (0.54) TNFHPGDMAPTMEN1KMT2A
SCHEMBL5700841 0.77 ROCK2 (0.54) TNFHPGDMAPTMEN1KMT2A
SCHEMBL5896951 0.77 NPSR1 (0.53) HPGDMAPTMEN1KMT2ALMNA
SCHEMBL7867559 0.77 ITGB3 (0.49) TNFITGB3ITGA2HPGDMAPT
SCHEMBL28985111 0.76 NPC1 (0.51) TNFMAPTMEN1KMT2ALMNA
SCHEMBL2852910 0.76 RAB9A (0.62) HPGDMAPTHTTMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800505-B1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORP (US) 2001-09-26 EP disclosed
US-6046221-A USEFUL FOR REDUCING LEVELS OF TUMOR NECROSIS FACTOR-ALPHA IN A MAMMAL CELGENE CORPORATION (US) 2000-04-04 US disclosed
US-5801195-A TUMOR NECROSIS AGENT INHIBITORS FOR COMBATING CACHEXIA, ENDOTOXIC SHOCK AND RETROVIRUS REPLICATION CELGENE CORPORATION (US) 1998-09-01 US disclosed
US-5736570-A ADMINISTERING TO REDUCE TUMOR NECROSIS FACTOR (TNFA) LEVELS IN MAMMAL; RETROVIRAL DISEASE TREATMENT/PROPHYLAXIS CELGENE CORPORATION (US) 1998-04-07 US disclosed
EP-0800505-A1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020915-A1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORPORATION (US) 1996-07-11 WO disclosed