SCHEMBL6822304

SCHEMBL6822304

COc1ccccc1NC(=O)NCC(C)(C)CC(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 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
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
MMP3 P08254 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6822411 0.92 TDP1 (0.45) TDP1L3MBTL1SMN1; SMN2HPGDTAS1R3
SCHEMBL6822283 0.90 TDP1 (0.43) TDP1L3MBTL1SMN1; SMN2HPGDTAS1R3
SCHEMBL6825496 0.88 ALDH1A1 (0.49) SMN1; SMN2MEN1LMNAKMT2ATSHR
SCHEMBL6825489 0.85 SMN1; SMN2 (0.38) TDP1L3MBTL1SMN1; SMN2MEN1LMNA
SCHEMBL6822424 0.85 ANPEP (0.45) MEN1LMNAKMT2APKMDUSP3
SCHEMBL6825527 0.85 NPC1 (0.45) TDP1SMN1; SMN2PPARAMEN1LMNA
SCHEMBL6822127 0.84 KMT2A (0.44) TDP1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL6827892 0.84 TDP1 (0.48) TDP1L3MBTL1SMN1; SMN2HPGDTAS1R3
SCHEMBL6825923 0.83 EPHX2 (0.40) TDP1L3MBTL1MEN1LMNAKMT2A
SCHEMBL6825606 0.81 NPC1 (0.38) HPGDMEN1KMT2AMMP3HDAC1

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