SCHEMBL6825458

SCHEMBL6825458

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.39
KMT2A Q03164 3/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
EPHX1 P07099 3/20 0.38
EPHX2 P34913 3/20 0.37
CCR3 P51677 1/20 0.37
MEN1 O00255 2/20 0.36
ALOX5 P09917 1/20 0.36
KCNT1 Q5JUK3 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.91 MEN1 (0.41) KMT2AEPHX2CCR3MEN1
SCHEMBL6822393 0.91 SLC6A9 (0.42) SLC6A9
SCHEMBL6822147 0.90 SMN1; SMN2 (0.41) KMT2ANPC1RAB9AEPHX1EPHX2
SCHEMBL6825283 0.89 KMT2A (0.42) KMT2ANPC1RAB9AEPHX1EPHX2
SCHEMBL6827708 0.88 TDP1 (0.47) EPHX1EPHX2
SCHEMBL6827557 0.88 EPHX1 (0.41) KMT2AEPHX1EPHX2CCR3MEN1
SCHEMBL6825204 0.87 MMP1 (0.44) KMT2AMMP1MMP2MMP9MMP8
SCHEMBL6822389 0.87 MEN1 (0.38) KMT2AMMP1MMP2MMP9MMP8
SCHEMBL6822302 0.85 KMT2A (0.40) KMT2ANPC1RAB9AEPHX2MEN1
SCHEMBL7064641 0.85 NPY2R (0.41) KMT2ANPC1RAB9AEPHX2MEN1

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