SCHEMBL7876199

SCHEMBL7876199

COC(=O)CC(NC(=O)c1ccc(N)cc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
TNF P01375 6/20 0.52
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
POLB P06746 2/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL5700841 0.93 ROCK2 (0.54) HPGDTNFLMNAMAPTNPSR1
SCHEMBL5700847 0.93 ROCK2 (0.54) HPGDTNFLMNAMAPTNPSR1
SCHEMBL7876448 0.88 POLB (0.58) HPGDTNFLMNAMAPTNPSR1
SCHEMBL7867559 0.87 ITGB3 (0.49) HPGDTNFLMNAMAPTNPSR1
SCHEMBL7872598 0.84 TNF (0.55) HPGDTNFLMNAMAPTNPSR1
SCHEMBL5701002 0.83 MAPT (0.49) LMNAMAPTPOLBROCK2ROCK1
SCHEMBL5700999 0.83 MAPT (0.49) LMNAMAPTPOLBROCK2ROCK1
SCHEMBL7872607 0.82 TAS1R3 (0.53) HPGDTNFLMNAMAPTNPSR1
SCHEMBL5700932 0.81 MEN1 (0.60) LMNAMAPTPOLBROCK2ROCK1
SCHEMBL5700925 0.81 MEN1 (0.60) LMNAMAPTPOLBROCK2ROCK1

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 7 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-6284780-B1 PREVENT TUMOR NECROSIS FACTOR RETROVIRUS REPRODUCTION CELGENE CORPORATION 2001-09-04 US 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