SCHEMBL6825544

SCHEMBL6825544

COc1ccc(Cl)cc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCC1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6825842 0.98 ALDH1A1 (0.53) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6825408 0.91 LMNA (0.44) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6822417 0.90 ALDH1A1 (0.51) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6825361 0.90 ALDH1A1 (0.41) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6822139 0.89 KMT2A (0.51) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6825621 0.88 LMNA (0.41) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6822364 0.88 ANPEP (0.48) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL6825325 0.88 MAPK1 (0.43) ALDH1A1GAALMNATSHRNPSR1
SCHEMBL6822382 0.88 ALDH1A1 (0.41) ALDH1A1GAALMNATSHRKMT2A
SCHEMBL6825396 0.87 KMT2A (0.51) ALDH1A1GAALMNATSHRKMT2A

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