SCHEMBL6825408

SCHEMBL6825408

COc1ccc(C)cc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCC1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
SENP6 Q9GZR1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6825544 0.91 ALDH1A1 (0.51) LMNAALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL6825842 0.89 ALDH1A1 (0.53) LMNAALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL6822293 0.89 LMNA (0.41) LMNAALDH1A1TSHRKMT2AGAA
SCHEMBL6822364 0.89 ANPEP (0.48) LMNAALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL6825621 0.87 LMNA (0.41) LMNAALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL6825209 0.87 TAS1R3 (0.48) ALDH1A1TSHRKMT2AGAAHTT
SCHEMBL6822415 0.87 TDP1 (0.48) LMNAALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL6824835 0.85 LMNA (0.41) LMNAALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL6825416 0.81 KMT2A (0.41) LMNAALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL6822417 0.81 ALDH1A1 (0.51) LMNAALDH1A1L3MBTL1TSHRKMT2A

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