SCHEMBL6822283

SCHEMBL6822283

COc1ccccc1NC(=O)NCC(C)(C)CC(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
KMT2A Q03164 3/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
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
SCHEMBL6822411 0.98 TDP1 (0.45) TDP1PKMALDH1A1TAS2R14HDAC1
SCHEMBL6822304 0.90 TDP1 (0.46) TDP1PKMHDAC1HDAC11HDAC6
SCHEMBL6822127 0.90 KMT2A (0.44) TDP1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6825114 0.90 NPC1 (0.46) ALDH1A1L3MBTL1TAS1R3TAS1R1KMT2A
SCHEMBL6827634 0.89 KMT2A (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL6825923 0.89 EPHX2 (0.40) TDP1L3MBTL1KMT2AMEN1LMNA
SCHEMBL6822296 0.89 KMT2A (0.41) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6825617 0.88 NPC1 (0.42) TDP1PKMALDH1A1TAS2R14HDAC1
SCHEMBL6822142 0.88 KMT2A (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6827642 0.88 NPC1 (0.38) L3MBTL1TAS1R3TAS1R1

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