SCHEMBL7994713

SCHEMBL7994713

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 1/20 0.58
UTS2R Q9UKP6 2/20 0.50
LDHA P00338 1/20 0.49
LDHB P07195 1/20 0.49
CTSA P10619 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
RORC P51449 1/20 0.48
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TACR3 P29371 1/20 0.47
CNR2 P34972 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL5312465 0.93 MEN1 (0.51) MEN1KMT2APOLBUTS2RCYP3A4
SCHEMBL27781112 0.88 MEN1 (0.63) MEN1KMT2APOLBUTS2RCYP3A4
SCHEMBL14198862 0.88 MEN1 (0.63) MEN1KMT2APOLBUTS2RCYP3A4
SCHEMBL12226572 0.88 MEN1 (0.63) MEN1KMT2APOLBUTS2RCYP3A4
SCHEMBL5926424 0.85 UTS2R (0.49) MEN1KMT2APOLBUTS2RCYP3A4
SCHEMBL5927020 0.84 THRB (0.49) MEN1KMT2APOLBUTS2RCYP3A4
SCHEMBL5926341 0.84 THRB (0.49) MEN1KMT2APOLBUTS2RCYP3A4
SCHEMBL5700925 0.84 MEN1 (0.60) MEN1KMT2APOLBUTS2RCYP3A4
SCHEMBL5700932 0.84 MEN1 (0.60) MEN1KMT2APOLBUTS2RCYP3A4
SCHEMBL8173530 0.84 MEN1 (0.60) MEN1KMT2APOLBUTS2RROCK2

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
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