SCHEMBL8301127

SCHEMBL8301127

CCOC(=O)C(NC(=O)c1cc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)cs1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 10/20 0.57
MMP13 P45452 4/20 0.57
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
TACR3 P29371 1/20 0.39
AKT1 P31749 2/20 0.39
MAPT P10636 2/20 0.39
KCNK3 O14649 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6368918 0.87 MMP12 (0.74) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6369477 0.87 MMP12 (0.74) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8301905 0.84 MMP12 (0.78) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6367846 0.80 MMP12 (0.76) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8300063 0.80 MMP12 (0.76) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6505161 0.77 MMP12 (0.57) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6367844 0.75 MMP12 (0.51) MMP12MMP13MMP3MMP9MMP8
Propionic Acid SCHEMBL6509431 0.74 MMP12 (0.48) MMP12MMP13MMP3MMP9MMP8
SCHEMBL3923931 0.74 SMN1; SMN2 (0.59) MMP8SMN1; SMN2MEN1KMT2A
SCHEMBL8302059 0.73 MMP12 (0.76) 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