SCHEMBL6822282

SCHEMBL6822282

COc1ccccc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCC1)C(C)(C)C

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
KMT2A Q03164 3/20 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
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6822409 0.98 TDP1 (0.46) ANPEPTDP1L3MBTL1TAS1R3TAS1R1
SCHEMBL6822303 0.90 TDP1 (0.47) ANPEPTDP1L3MBTL1TAS1R3TAS1R1
SCHEMBL6822125 0.90 KMT2A (0.46) TDP1L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL6825108 0.90 NPC1 (0.47) TAS1R3TAS1R1ALDH1A1KMT2AMEN1
SCHEMBL6825922 0.89 EPHX2 (0.38) ANPEPTDP1L3MBTL1LMNA
SCHEMBL6822293 0.89 LMNA (0.41) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL6825934 0.89 KMT2A (0.44) TAS1R3TAS1R1ALDH1A1KMT2AMEN1
SCHEMBL6822364 0.88 ANPEP (0.48) ANPEPTDP1L3MBTL1TAS1R3TAS1R1
SCHEMBL6825435 0.88 NPC1 (0.43) ANPEPALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6822139 0.88 KMT2A (0.51) ALDH1A1KMT2AMEN1LMNATSHR

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