SCHEMBL8300026

SCHEMBL8300026

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 12/20 0.66
MMP13 P45452 3/20 0.66
MMP3 P08254 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
PDE2A O00408 2/20 0.43
ABL1 P00519 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
AKR1C3 P42330 1/20 0.40
THRB P10828 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
SCHEMBL6367899 0.89 MMP12 (0.73) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141819 0.88 MMP12 (0.71) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8301905 0.86 MMP12 (0.78) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8302059 0.86 MMP12 (0.76) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6882182 0.86 MMP12 (0.57) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8300028 0.86 MMP12 (0.58) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6371574 0.84 MMP12 (0.80) MMP12MMP13PDE2APOLBMAPT
SCHEMBL8298112 0.83 MMP12 (0.65) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8300027 0.81 MMP12 (0.68) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6142319 0.80 MMP12 (0.68) 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