SCHEMBL6920142

SCHEMBL6920142

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 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
KCNQ2 O43526 3/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
BTK Q06187 1/20 0.34
CDK4 P11802 1/20 0.34
CDK9 P50750 1/20 0.34
TP53 P04637 1/20 0.34
NPY2R P49146 1/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 1/20 0.34
BMP1 P13497 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
SCHEMBL6923744 0.93 MAPT (0.37) MAPTALDH1A1THRBHPGDL3MBTL1
SCHEMBL6922960 0.91 MAPT (0.36) MAPTALDH1A1THRBHPGDL3MBTL1
SCHEMBL6822378 0.91 MAPT (0.37) MAPTL3MBTL1KCNQ2MAPK1LMNA
SCHEMBL6923411 0.87 ALDH1A1 (0.42) MAPTALDH1A1THRBHPGDL3MBTL1
SCHEMBL6922708 0.83 TDP1 (0.36) MAPTL3MBTL1KCNQ2MAPK1LMNA
SCHEMBL6825424 0.83 POLB (0.40) MAPTALDH1A1THRBHPGDL3MBTL1
SCHEMBL6825167 0.82 POLB (0.39) MAPTALDH1A1THRBHPGDL3MBTL1
SCHEMBL6822428 0.82 POLB (0.39) MAPTALDH1A1THRBHPGDL3MBTL1
SCHEMBL6822386 0.81 POLB (0.36) MAPTALDH1A1L3MBTL1POLBMMP2
SCHEMBL6920266 0.81 TDP1 (0.36) MAPTL3MBTL1KCNQ2LMNABTK

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 disclosed