SCHEMBL8301905

SCHEMBL8301905

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

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 10/20 0.78
MMP13 P45452 3/20 0.78
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
ABL1 P00519 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 2/20 0.40
GPR139 Q6DWJ6 1/20 0.40
EPHX2 P34913 1/20 0.40
PPARA Q07869 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDE2A O00408 1/20 0.40
KLKB1 P03952 1/20 0.39
POLB P06746 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
SCHEMBL6141835 0.88 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141848 0.88 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6368500 0.88 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8300026 0.86 MMP12 (0.66) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8301127 0.84 MMP12 (0.57) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8343263 0.83 MMP12 (0.58) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6367993 0.81 MMP12 (0.73) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6367899 0.81 MMP12 (0.73) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8300028 0.81 MMP12 (0.58) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141819 0.80 MMP12 (0.71) MMP12MMP13MMP3MMP9MMP8

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