SCHEMBL6825239

SCHEMBL6825239

COc1ccccc1NC(=O)NC[C@@H](C)CC(=O)N(CCC(C)C)CC(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
PKM P14618 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC11 Q96DB2 1/20 0.43
APAF1 O14727 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
LPAR1 Q92633 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
MAPT P10636 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
SCHEMBL6825166 0.87 ANPEP (0.45) ANPEPKMT2AMEN1
SCHEMBL6827892 0.86 TDP1 (0.48) ANPEPPKMHDAC1HDAC6HDAC11
SCHEMBL6822416 0.84 TDP1 (0.46) ANPEPPKMHDAC1HDAC6HDAC11
SCHEMBL6822365 0.84 TDP1 (0.44) ANPEPPKMHDAC1HDAC6HDAC11
SCHEMBL6822424 0.83 ANPEP (0.45) ANPEPPKMHDAC1HDAC6HDAC11
SCHEMBL6825438 0.83 LMNA (0.41) KMT2AMEN1GAAMAPT
SCHEMBL7066019 0.81 LMNA (0.40) PKMKMT2AMEN1MAPT
SCHEMBL6825590 0.79 TRPV1 (0.44) KMT2AMEN1GAATRPV1
SCHEMBL6825195 0.79 RAB9A (0.40) KMT2ATRPV1MAPT
SCHEMBL6825230 0.79 ANPEP (0.53) ANPEPPKMHDAC1HDAC6HDAC11

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