SCHEMBL7872607

SCHEMBL7872607

COC(=O)CC(NC(=O)c1cccc(OC)c1)c1ccc(OC)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
ITGA2 P17301 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR139 Q6DWJ6 4/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL7876448 0.89 POLB (0.58) TAS1R3TAS1R1ITGB3ITGA2BITGA2
SCHEMBL7874393 0.89 NPSR1 (0.57) TAS1R3TAS1R1LMNAMAPTNPSR1
SCHEMBL7867559 0.89 ITGB3 (0.49) TAS1R3TAS1R1ITGB3ITGA2BITGA2
SCHEMBL7867657 0.85 SETD7 (0.59) ITGB3ITGA2LMNAMAPTMEN1
SCHEMBL8174992 0.83 MAPK1 (0.54) LMNAMAPTNPSR1POLBROCK2
SCHEMBL7876199 0.82 HPGD (0.52) TAS1R3TAS1R1LMNAMAPTNPSR1
SCHEMBL7867583 0.81 NPSR1 (0.58) TAS1R3TAS1R1LMNAMAPTNPSR1
SCHEMBL7867322 0.80 KMT2A (0.63) TAS1R3TAS1R1ITGB3ITGA2BITGA2
SCHEMBL5700847 0.80 ROCK2 (0.54) TAS1R3TAS1R1LMNAMAPTNPSR1
SCHEMBL5700841 0.80 ROCK2 (0.54) TAS1R3TAS1R1LMNAMAPTNPSR1

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