SCHEMBL7066016

SCHEMBL7066016

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SHMT2 P34897 1/20 0.39
PKM P14618 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GRK2 P25098 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FPR2 P25090 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL6825562 0.85 PKM (0.36) MAPTSMN1; SMN2SHMT2PKMMMP1
SCHEMBL6822126 0.83 POLB (0.37) MAPTSMN1; SMN2SHMT2PKMMMP1
SCHEMBL6827598 0.83 PKM (0.37) MAPTSMN1; SMN2SHMT2PKMMMP1
SCHEMBL6825580 0.82 ALDH1A1 (0.43) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL6825190 0.82 TAS1R3 (0.43) MAPTSMN1; SMN2HTTPOLBALDH1A1
SCHEMBL6825230 0.80 ANPEP (0.53) MAPTSMN1; SMN2PKMKMT2AMEN1
SCHEMBL6825157 0.80 ANPEP (0.52) SMN1; SMN2POLBALDH1A1
SCHEMBL6826028 0.79 KMT2A (0.53) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7066019 0.79 LMNA (0.40) MAPTSMN1; SMN2SHMT2PKMMMP1
SCHEMBL6825319 0.76 PKM (0.44) PKMMMP1MMP2MMP9MMP8

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