SCHEMBL6827598

SCHEMBL6827598

CC(C)[C@H](NC(=O)Nc1cc(F)ccc1F)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GRK2 P25098 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
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
FPR2 P25090 1/20 0.35
CCR3 P51677 2/20 0.35
HTT P42858 1/20 0.35
ELANE P08246 1/20 0.35
SHMT2 P34897 1/20 0.35

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 0.98 POLB (0.37) PKMPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL6825319 0.93 PKM (0.44) PKMPOLBL3MBTL1MEN1KMT2A
SCHEMBL6825562 0.89 PKM (0.36) PKMPOLBMAPTSMN1; SMN2MEN1
SCHEMBL6824628 0.89 ALDH1A1 (0.44) PKMPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL6920266 0.88 TDP1 (0.36) PKMMAPTSMN1; SMN2L3MBTL1
SCHEMBL6822386 0.86 POLB (0.36) PKMPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL6922708 0.86 TDP1 (0.36) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL6825325 0.84 MAPK1 (0.43) ALDH1A1ELANE
SCHEMBL6825361 0.84 ALDH1A1 (0.41) POLBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL7066016 0.83 MAPT (0.39) PKMPOLBMAPTSMN1; SMN2ALDH1A1

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