SCHEMBL6822392

SCHEMBL6822392

CC(C)(C)[C@H](NC(=O)Nc1cc(F)cc(F)c1)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.41
SLC6A5 Q9Y345 5/20 0.35
MMP2 P08253 2/20 0.33
MMP3 P08254 1/20 0.33
BMP1 P13497 1/20 0.33
NPY1R P25929 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL6825276 0.91 MEN1 (0.43) SLC6A9
SCHEMBL6825450 0.90 KLK7 (0.40) MMP2MMP3
SCHEMBL6822053 0.89 MEN1 (0.36) MMP2MMP3BMP1
SCHEMBL6822141 0.88 RAB9A (0.42)
SCHEMBL6822386 0.85 POLB (0.36) MMP2MMP3BMP1
SCHEMBL6825223 0.85 KMT2A (0.38) MMP2MMP3
SCHEMBL6825220 0.84 KMT2A (0.42) MMP2
SCHEMBL6825035 0.84 NPC1 (0.43)
SCHEMBL6921269 0.83 NPY2R (0.46)
SCHEMBL6827885 0.83 NPC1 (0.45)

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