SCHEMBL6825574

SCHEMBL6825574

CCCCN(CC(=O)NO)C(=O)CC(C)(C)CNC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.51
EPHX2 P34913 7/20 0.49
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
OPRM1 P35372 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
SCHEMBL6827780 0.82 EPHX2 (0.53) EPHX1EPHX2MMP1MMP2MMP9
SCHEMBL6825565 0.79 EPHX1 (0.47) EPHX1EPHX2MMP1MMP2MMP9
SCHEMBL6822076 0.78 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6825882 0.76 CASR (0.45) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL6825601 0.76 MEN1 (0.43) EPHX1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL6825527 0.74 NPC1 (0.45) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL6822346 0.73 RAB9A (0.39) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL6822427 0.73 TRPV1 (0.43) MEN1LMNAKMT2AMAPTPOLB
SCHEMBL6825042 0.73 MEN1 (0.43) EPHX1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL7069789 0.72 HTT (0.42) MMP2ALDH1A1MEN1LMNAHTT

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