SCHEMBL6825923

SCHEMBL6825923

CC(C)(CNC(=O)Nc1ccccc1OC(F)(F)F)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
TDP1 Q9NUW8 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CXCR2 P25025 4/20 0.35
NAMPT P43490 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IDH2 P48735 1/20 0.34
IDH1 O75874 1/20 0.33
P2RY1 P47900 1/20 0.33

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
SCHEMBL6822411 0.91 TDP1 (0.45) TDP1L3MBTL1LMNAMEN1KMT2A
SCHEMBL6822127 0.90 KMT2A (0.44) TDP1NPC1RAB9ALMNAMEN1
SCHEMBL6822283 0.89 TDP1 (0.43) TDP1L3MBTL1LMNAMEN1KMT2A
SCHEMBL6822302 0.87 KMT2A (0.40) EPHX2NPC1RAB9ALMNAMEN1
SCHEMBL6822311 0.85 NPC1 (0.40) EPHX2NPC1RAB9A
SCHEMBL6825944 0.85 KMT2A (0.43) NPC1RAB9AMEN1KMT2A
SCHEMBL6827708 0.85 TDP1 (0.47) EPHX2TDP1L3MBTL1
SCHEMBL6825617 0.84 NPC1 (0.42) EPHX2TDP1NPC1RAB9ALMNA
SCHEMBL6827642 0.84 NPC1 (0.38) EPHX2NPC1RAB9AL3MBTL1
SCHEMBL6822304 0.83 TDP1 (0.46) TDP1L3MBTL1LMNAMEN1KMT2A

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