SCHEMBL6825075

SCHEMBL6825075

CC(C)(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.43
MMP2 P08253 8/20 0.43
MMP9 P14780 8/20 0.43
MMP8 P22894 8/20 0.43
MMP13 P45452 8/20 0.43
EPHX1 P07099 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL6827533 0.90 RAB9A (0.46) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6825450 0.87 KLK7 (0.40) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6825223 0.85 KMT2A (0.38) MMP1MMP2MEN1KMT2AEPHX2
SCHEMBL6922973 0.85 MMP2 (0.39) MMP2EPHX1KMT2AEPHX2
SCHEMBL6827551 0.85 EPHX1 (0.42) EPHX1MEN1KMT2APOLBNAMPT
SCHEMBL6826086 0.84 MAPT (0.40) MMP2MEN1KMT2AALDH1A1HTT
SCHEMBL6827552 0.83 TDP1 (0.48) EPHX1ALDH1A1POLBEPHX2
SCHEMBL6825220 0.83 KMT2A (0.42) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6822141 0.83 RAB9A (0.42) MEN1KMT2AALDH1A1POLB
SCHEMBL6822392 0.81 SLC6A9 (0.41) MMP2

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