SCHEMBL6825069

SCHEMBL6825069

CC(C)(C)[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)cc1Cl)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.39
PDK2 Q15119 3/20 0.39
PDK3 Q15120 3/20 0.39
PDK4 Q16654 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 2/20 0.37
MAPK1 P28482 1/20 0.37
SMO Q99835 1/20 0.36
MMP3 P08254 2/20 0.35
F10 P00742 1/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
ALDH3A1 P30838 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL6824826 0.89 RAB9A (0.43) RORCMAPK1ALDH1A1MAPT
SCHEMBL6822110 0.87 RAB9A (0.41) RORCMAPK1ALDH1A1MAPT
SCHEMBL6822309 0.85 TAS1R3 (0.47) MMP3
SCHEMBL6825256 0.84 CYP2C19 (0.38) PDK1PDK2PDK3PDK4MEN1
SCHEMBL6827632 0.84 TAS1R3 (0.44) MEN1KMT2AMMP3MAPT
SCHEMBL6825244 0.82 MEN1 (0.41) MEN1KMT2AMAPK1MMP3
SCHEMBL6825910 0.82 MEN1 (0.37) PDK1PDK2PDK3PDK4MEN1
SCHEMBL6825262 0.81 RAB9A (0.43) MEN1KMT2AMAPK1MMP3ALDH1A1
SCHEMBL6825073 0.81 MEN1 (0.39) PDK1PDK2PDK3PDK4MEN1
SCHEMBL6825220 0.81 KMT2A (0.42) MEN1KMT2ACA2ALDH1A1MAPT

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