SCHEMBL6822364

SCHEMBL6822364

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.39
HPGD P15428 1/20 0.39
LPAR1 Q92633 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
SCHEMBL6822415 0.98 TDP1 (0.48) ANPEPTDP1L3MBTL1ALDH1A1TAS2R14
SCHEMBL6825209 0.89 TAS1R3 (0.48) ALDH1A1TAS1R3TAS1R1KMT2AMEN1
SCHEMBL6827879 0.89 TDP1 (0.49) ANPEPTDP1L3MBTL1TAS1R3TAS1R1
SCHEMBL6825408 0.89 LMNA (0.44) L3MBTL1ALDH1A1KMT2AMEN1TSHR
SCHEMBL6822282 0.88 ANPEP (0.45) ANPEPTDP1L3MBTL1ALDH1A1TAS2R14
SCHEMBL6825544 0.88 ALDH1A1 (0.51) L3MBTL1ALDH1A1KMT2AMEN1TSHR
SCHEMBL6824628 0.87 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1KMT2AMEN1
SCHEMBL6827631 0.87 TAS1R3 (0.47) ANPEPL3MBTL1ALDH1A1TAS1R3TAS1R1
SCHEMBL6822409 0.86 TDP1 (0.46) ANPEPTDP1L3MBTL1ALDH1A1TAS2R14
SCHEMBL6825842 0.86 ALDH1A1 (0.53) L3MBTL1ALDH1A1KMT2AMEN1TSHR

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