SCHEMBL6822378

SCHEMBL6822378

CC(C)(C)[C@H](NC(=O)Nc1cc(F)ccc1N1CCCC1)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
KCNQ2 O43526 5/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
BTK Q06187 1/20 0.35
CDK4 P11802 1/20 0.35
CDK9 P50750 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
ERAP1 Q9NZ08 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
SCHEMBL6923744 0.98 MAPT (0.37) MAPTKCNQ2LMNAPOLBBTK
SCHEMBL6923411 0.92 ALDH1A1 (0.42) MAPTLMNAL3MBTL1
SCHEMBL6920142 0.91 MAPT (0.36) MAPTKCNQ2LMNAPOLBBTK
SCHEMBL6920266 0.90 TDP1 (0.36) MAPTKCNQ2LMNABTKCDK4
SCHEMBL6922708 0.89 TDP1 (0.36) MAPTKCNQ2LMNABTKCDK4
SCHEMBL6822386 0.87 POLB (0.36) MAPTPOLBL3MBTL1
SCHEMBL6921269 0.85 NPY2R (0.46)
SCHEMBL6922960 0.82 MAPT (0.36) MAPTKCNQ2LMNAPOLBBTK
SCHEMBL6825522 0.82 POLB (0.39) MAPTKCNQ2LMNAPOLBBTK
SCHEMBL6825450 0.82 KLK7 (0.40) MAPTLMNAPOLBMAPK1

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