SCHEMBL8173530

SCHEMBL8173530

COC(=O)CC(NC(=O)c1ccccc1)c1ccc(C(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
POLB P06746 1/20 0.60
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
TACR3 P29371 1/20 0.48
UTS2R Q9UKP6 7/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MMP12 P39900 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL27781112 0.90 MEN1 (0.63) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL12226572 0.90 MEN1 (0.63) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL14198862 0.90 MEN1 (0.63) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5700925 0.86 MEN1 (0.60) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5700932 0.86 MEN1 (0.60) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL7994713 0.84 MEN1 (0.58) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL27887658 0.81 MEN1 (0.55) MEN1KMT2APOLBGAASMN1; SMN2
SCHEMBL7876448 0.81 POLB (0.58) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5312465 0.80 MEN1 (0.51) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL1139148 0.78 MEN1 (0.53) MEN1KMT2APOLBROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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