SCHEMBL6504674

SCHEMBL6504674

COC(=O)CC(NC(=O)C(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.43
MME P08473 5/20 0.42
ECE1 P42892 2/20 0.42
TGFBR1 P36897 1/20 0.39
FOLH1 Q04609 2/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP1 P03956 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 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
SCHEMBL28348683 0.85 MME (0.41) ACEMMEECE1TGFBR1FOLH1
SCHEMBL25491158 0.85 ECE1 (0.44) ACEMMEECE1TGFBR1MMP1
SCHEMBL13912229 0.85 BIRC2 (0.42) MMEALDH1A1MMP1TSHRTHRB
Hydrochloric Acid SCHEMBL25209808 0.84 ECE1 (0.43) ACEMMEECE1TGFBR1MMP1
Hydrochloric Acid SCHEMBL25209810 0.84 ECE1 (0.43) ACEMMEECE1TGFBR1MMP1
Hydrochloric Acid SCHEMBL31285077 0.84 ECE1 (0.43) ACEMMEECE1TGFBR1MMP1
SCHEMBL8380947 0.82 MME (0.51) ACEMMEECE1
SCHEMBL8380946 0.82 MME (0.51) ACEMMEECE1
SCHEMBL31221834 0.81 ECE1 (0.41) ACEMMEECE1TGFBR1MMP1
SCHEMBL22043405 0.80 MAPT (0.55) MMETGFBR1ALDH1A1TSHRKDM4E

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed