SCHEMBL8300027

SCHEMBL8300027

O=C(O)CCCC(NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 12/20 0.68
MMP13 P45452 3/20 0.68
MMP3 P08254 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
ABL1 P00519 1/20 0.42
PDE2A O00408 1/20 0.41
AKT1 P31749 2/20 0.40
HDAC1 Q13547 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL8298112 0.92 MMP12 (0.65) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6367899 0.88 MMP12 (0.73) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141819 0.85 MMP12 (0.71) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8300026 0.81 MMP12 (0.66) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141848 0.81 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6368500 0.81 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141835 0.81 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6142319 0.79 MMP12 (0.68) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6368969 0.79 MMP12 (0.70) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6875493 0.78 MMP12 (0.59) MMP12MMP13MMP8ABL1HDAC1

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-2005003115-A1 THIOPHENE AMINO ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed