SCHEMBL6825256

SCHEMBL6825256

CC(C)(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
RAB9A P51151 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 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
SCHEMBL6825910 0.98 MEN1 (0.37) CYP2C19GAAALDH1A1LMNATSHR
SCHEMBL6824826 0.93 RAB9A (0.43) GAAALDH1A1LMNATSHRMAPT
SCHEMBL6825367 0.92 CYP2C19 (0.37) CYP2C19GAAALDH1A1LMNATSHR
SCHEMBL6822110 0.91 RAB9A (0.41) ALDH1A1MAPTRAB9ATAS1R3TAS1R1
SCHEMBL6825396 0.90 KMT2A (0.51) CYP2C19GAAALDH1A1LMNATSHR
SCHEMBL6822309 0.89 TAS1R3 (0.47) CYP2C19POLBRAB9ATAS1R3TAS1R1
SCHEMBL6822382 0.88 ALDH1A1 (0.41) CYP2C19GAAALDH1A1LMNATSHR
SCHEMBL6822139 0.88 KMT2A (0.51) CYP2C19GAAALDH1A1LMNATSHR
SCHEMBL6827632 0.87 TAS1R3 (0.44) LMNAMEN1KMT2APOLBMAPT
SCHEMBL6822053 0.87 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPT

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