SCHEMBL6827552

SCHEMBL6827552

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
EPHX2 P34913 14/20 0.45
EPHX1 P07099 3/20 0.45
HPGD P15428 1/20 0.44
FPR2 P25090 1/20 0.40
FAAH O00519 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
SCHEMBL6825223 0.88 KMT2A (0.38) EPHX2FPR2
SCHEMBL6825450 0.88 KLK7 (0.40) POLBEPHX2EPHX1
SCHEMBL6922973 0.85 MMP2 (0.39) EPHX2EPHX1FPR2
SCHEMBL6825922 0.84 EPHX2 (0.38) TDP1L3MBTL1EPHX2
SCHEMBL6827551 0.84 EPHX1 (0.42) POLBEPHX1FPR2
SCHEMBL6822141 0.84 RAB9A (0.42) L3MBTL1ALDH1A1POLBHPGD
SCHEMBL6825075 0.83 MMP1 (0.43) ALDH1A1POLBEPHX2EPHX1
SCHEMBL6822392 0.83 SLC6A9 (0.41)
SCHEMBL6825220 0.82 KMT2A (0.42) ALDH1A1POLBEPHX2EPHX1FPR2
SCHEMBL6825276 0.81 MEN1 (0.43) ALDH1A1EPHX2

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