SCHEMBL6822428

SCHEMBL6822428

C[C@H](CNC(=O)Nc1cc(F)ccc1N1CCCC1)CC(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
LMNA P02545 7/20 0.38
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL6825167 1.00 POLB (0.39) POLBLMNATP53MAPTALDH1A1
SCHEMBL6825363 0.92 POLB (0.39) POLBLMNATP53MAPTL3MBTL1
SCHEMBL6822375 0.92 POLB (0.39) POLBLMNATP53MAPTL3MBTL1
SCHEMBL6825602 0.89 MEN1 (0.37) POLBLMNAMAPT
SCHEMBL6825571 0.89 MEN1 (0.37) POLBLMNAMAPT
SCHEMBL6825424 0.85 POLB (0.40) POLBLMNATP53MAPTALDH1A1
SCHEMBL6922960 0.83 MAPT (0.36) POLBLMNATP53MAPTALDH1A1
SCHEMBL6920142 0.82 MAPT (0.36) POLBLMNATP53MAPTALDH1A1
SCHEMBL6825840 0.81 MEN1 (0.38) POLBLMNAMAPT
SCHEMBL6822128 0.81 MEN1 (0.38) POLBLMNAMAPT

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 1 patent. 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