SCHEMBL6822365

SCHEMBL6822365

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ANPEP P15144 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
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 2/20 0.39
CCR3 P51677 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
MEN1 O00255 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 0.98 TDP1 (0.46) TDP1L3MBTL1ANPEPGAAPKM
SCHEMBL6827892 0.90 TDP1 (0.48) TDP1L3MBTL1ANPEPGAAPKM
SCHEMBL6825416 0.89 KMT2A (0.41) L3MBTL1GAAPKMSMN1; SMN2KMT2A
SCHEMBL6825902 0.88 ALDH1A1 (0.51) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL6824635 0.88 LMNA (0.48) SMN1; SMN2HPGDTAS1R3TAS1R1KMT2A
SCHEMBL6827638 0.88 TAS1R3 (0.41) ANPEPTAS1R3TAS1R1ALDH1A1
SCHEMBL6825998 0.86 ALDH1A1 (0.53) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL6825843 0.86 ALDH1A1 (0.53) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL6825499 0.86 TAS1R3 (0.44) ANPEPTAS1R3TAS1R1ALDH1A1
SCHEMBL6827687 0.85 LMNA (0.40) TDP1L3MBTL1GAASMN1; SMN2KMT2A

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 disclosed