SCHEMBL6825367

SCHEMBL6825367

CC(C)(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 2/20 0.37
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
BMP1 P13497 1/20 0.36
MAPT P10636 2/20 0.36
MMP1 P03956 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6825262 0.93 RAB9A (0.43) ALDH1A1MEN1KMT2APOLBMMP2
SCHEMBL6825256 0.92 CYP2C19 (0.38) CYP2C19LMNAALDH1A1GAATSHR
SCHEMBL6825910 0.90 MEN1 (0.37) CYP2C19LMNAALDH1A1GAATSHR
SCHEMBL6825370 0.90 KMT2A (0.50) CYP2C19LMNAALDH1A1GAATSHR
SCHEMBL6822349 0.90 ALDH1A1 (0.40) CYP2C19LMNAALDH1A1GAATSHR
SCHEMBL6825851 0.89 TAS1R3 (0.46) CYP2C19POLBMMP2MMP3BMP1
SCHEMBL6825246 0.86 EPHX2 (0.47) CYP2C19LMNAALDH1A1TSHRMEN1
SCHEMBL6822426 0.85 MEN1 (0.40) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL6824826 0.85 RAB9A (0.43) LMNAALDH1A1GAATSHRMAPT
SCHEMBL6822110 0.83 RAB9A (0.41) ALDH1A1MAPT

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