SCHEMBL6825562

SCHEMBL6825562

CC(C)[C@H](NC(=O)Nc1cc(F)ccc1F)C(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KLK7 P49862 1/20 0.36
MMP3 P08254 1/20 0.35
MCHR1 Q99705 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
CCR3 P51677 2/20 0.34
PARP1 P09874 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
SHMT2 P34897 1/20 0.34

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
SCHEMBL6822126 0.91 POLB (0.37) PKMPOLBMAPTSMN1; SMN2MEN1
SCHEMBL6827598 0.89 PKM (0.37) PKMPOLBMAPTSMN1; SMN2MEN1
SCHEMBL6922960 0.88 MAPT (0.36) POLBMAPTSMN1; SMN2MCHR1
SCHEMBL7066016 0.85 MAPT (0.39) PKMPOLBMAPTSMN1; SMN2MEN1
SCHEMBL6822114 0.84 RAB9A (0.43) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL6822349 0.84 ALDH1A1 (0.40) POLBMAPTMMP3MEN1KMT2A
SCHEMBL6827879 0.82 TDP1 (0.49) MAPTSMN1; SMN2MMP3MEN1KMT2A
SCHEMBL6825319 0.82 PKM (0.44) PKMPOLBMEN1KMT2AMMP1
SCHEMBL6825677 0.82 TAS1R3 (0.48) POLBMMP3MMP2NPC1RAB9A
SCHEMBL6822386 0.81 POLB (0.36) PKMPOLBMAPTSMN1; SMN2MMP3

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