SCHEMBL6822409

SCHEMBL6822409

COc1ccccc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCCC1)C(C)(C)C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ANPEP P15144 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP2 P08253 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
SCHEMBL6822282 0.98 ANPEP (0.45) TDP1L3MBTL1ANPEPTAS1R3TAS1R1
SCHEMBL6822303 0.92 TDP1 (0.47) TDP1L3MBTL1ANPEPTAS1R3TAS1R1
SCHEMBL6822125 0.91 KMT2A (0.46) TDP1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL6825922 0.91 EPHX2 (0.38) TDP1L3MBTL1ANPEPLMNAMMP2
SCHEMBL6822415 0.88 TDP1 (0.48) TDP1L3MBTL1ANPEPTAS1R3TAS1R1
SCHEMBL6825396 0.88 KMT2A (0.51) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL6825108 0.88 NPC1 (0.47) TAS1R3TAS1R1KMT2AMEN1ALDH1A1
SCHEMBL6822309 0.87 TAS1R3 (0.47) ANPEPTAS1R3TAS1R1MMP2
SCHEMBL6822301 0.87 ALDH1A1 (0.46) TAS1R3TAS1R1SMN1; SMN2KMT2AMEN1
SCHEMBL6825943 0.87 KMT2A (0.44) TAS1R3TAS1R1KMT2AMEN1ALDH1A1

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