SCHEMBL6825265

SCHEMBL6825265

Cc1ccc(NC(=O)N[C@H](C(=O)N(CCC2CCCC2)CC(=O)NO)C(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PLAU P00749 1/20 0.39
HPN P05981 1/20 0.39
MMP3 P08254 4/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
PDF Q9HBH1 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
MMP2 P08253 4/20 0.36
BMP1 P13497 1/20 0.36
MMP1 P03956 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL6825596 0.89 NPC1 (0.43) NPC1RAB9AKMT2AMEN1HDAC3
SCHEMBL6825246 0.84 EPHX2 (0.47) EPHX1NPC1RAB9AKMT2AMEN1
SCHEMBL6825482 0.84 MEN1 (0.39) MMP3KMT2AMEN1HDAC3HDAC1
SCHEMBL6825521 0.83 NPC1 (0.46) NPC1RAB9AMMP3KMT2AMEN1
SCHEMBL6825450 0.83 KLK7 (0.40) EPHX1NPC1RAB9AMMP3KMT2A
SCHEMBL6825851 0.82 TAS1R3 (0.46) NPC1RAB9AMMP3MMP2BMP1
SCHEMBL6922973 0.81 MMP2 (0.39) EPHX1NPC1RAB9AMMP3KMT2A
SCHEMBL6825223 0.81 KMT2A (0.38) NPC1RAB9AMMP3KMT2AMEN1
SCHEMBL6822303 0.81 TDP1 (0.47) MMP3KMT2AMEN1MMP2BMP1
SCHEMBL6825262 0.81 RAB9A (0.43) NPC1RAB9AMMP3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed