SCHEMBL6822293

SCHEMBL6822293

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 1/20 0.39
SENP6 Q9GZR1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6825934 0.92 KMT2A (0.44) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL6822139 0.91 KMT2A (0.51) LMNAHTTKMT2AALDH1A1MEN1
SCHEMBL6825396 0.89 KMT2A (0.51) LMNAHTTKMT2AALDH1A1MEN1
SCHEMBL6825408 0.89 LMNA (0.44) LMNAHTTKMT2AALDH1A1CASP3
SCHEMBL6822282 0.89 ANPEP (0.45) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL6825274 0.87 SMN1; SMN2 (0.39) LMNAHTTKMT2AALDH1A1MEN1
SCHEMBL6825108 0.87 NPC1 (0.47) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL6822409 0.87 TDP1 (0.46) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL6922479 0.86 SMN1; SMN2 (0.39) LMNAHTTKMT2AALDH1A1MEN1
SCHEMBL6825370 0.82 KMT2A (0.50) LMNAHTTKMT2AALDH1A1MEN1

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