SCHEMBL6827708

SCHEMBL6827708

CC(C)(CNC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EPHX2 P34913 14/20 0.45
EPHX1 P07099 3/20 0.45
GCGR P47871 1/20 0.40

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
SCHEMBL6825935 0.89 MEN1 (0.41) EPHX2
SCHEMBL6825458 0.88 KLK7 (0.39) EPHX2EPHX1
SCHEMBL6825923 0.85 EPHX2 (0.40) TDP1L3MBTL1EPHX2
SCHEMBL6822147 0.84 SMN1; SMN2 (0.41) L3MBTL1POLBALDH1A1EPHX2EPHX1
SCHEMBL6827557 0.84 EPHX1 (0.41) EPHX2EPHX1
SCHEMBL6825204 0.83 MMP1 (0.44) POLBALDH1A1EPHX2EPHX1
SCHEMBL6825283 0.82 KMT2A (0.42) EPHX2EPHX1
SCHEMBL6825042 0.81 MEN1 (0.43) POLBALDH1A1EPHX2EPHX1
SCHEMBL6827552 0.80 TDP1 (0.48) TDP1L3MBTL1POLBKDM4EALDH1A1
SCHEMBL6827891 0.80 NPC1 (0.44) POLBALDH1A1EPHX2EPHX1

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 1 patent. 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