SCHEMBL6827892

SCHEMBL6827892

COc1ccccc1NC(=O)NC[C@@H](C)CC(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
CCR3 P51677 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
ANPEP P15144 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
MMP3 P08254 1/20 0.40
PKM P14618 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL6822416 0.91 TDP1 (0.46) TDP1L3MBTL1CCR3SMN1; SMN2HPGD
SCHEMBL6822365 0.90 TDP1 (0.44) TDP1L3MBTL1CCR3SMN1; SMN2HPGD
SCHEMBL6822418 0.89 ALDH1A1 (0.52) SMN1; SMN2MEN1LMNAKMT2AGAA
SCHEMBL6825285 0.89 ALDH1A1 (0.52) SMN1; SMN2MEN1LMNAKMT2AGAA
SCHEMBL6825678 0.88 TAS1R3 (0.42) TAS1R3TAS1R1ANPEPMMP3ADRB2
SCHEMBL6825239 0.86 ANPEP (0.47) ANPEPMEN1KMT2AGAAPKM
SCHEMBL6825884 0.85 ALDH1A1 (0.39) TDP1L3MBTL1SMN1; SMN2MEN1LMNA
SCHEMBL6824961 0.85 ALDH1A1 (0.39) TDP1L3MBTL1SMN1; SMN2MEN1LMNA
SCHEMBL6822304 0.84 TDP1 (0.46) TDP1L3MBTL1SMN1; SMN2HPGDTAS1R3
SCHEMBL6825602 0.83 MEN1 (0.37) TDP1CCR3SMN1; SMN2MEN1LMNA

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 claimed