SCHEMBL6141827

SCHEMBL6141827

COc1ccc(-c2csc(C(=O)NC(C(=O)COCc3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 9/20 0.55
MMP13 P45452 5/20 0.55
MMP8 P22894 2/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
TACR3 P29371 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 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
SCHEMBL6367993 0.88 MMP12 (0.73) MMP12MMP13MMP8MMP3MMP9
SCHEMBL6451868 0.74 RAB9A (0.54) MMP12MMP13MMP8MMP3MMP9
SCHEMBL12071144 0.72 FOLH1 (0.52) MMP12MMP13MMP8MMP3MMP9
SCHEMBL12071229 0.72 FOLH1 (0.52) MMP12MMP13MMP8MMP3MMP9
SCHEMBL6141835 0.71 MMP12 (1.00) MMP12MMP13MMP8MMP3MMP9
SCHEMBL6368500 0.71 MMP12 (1.00) MMP12MMP13MMP8MMP3MMP9
SCHEMBL6533949 0.71 MMP12 (0.76) MMP12MMP13MMP8MMP3MMP9
SCHEMBL6533946 0.71 MMP12 (0.76) MMP12MMP13MMP8MMP3MMP9
SCHEMBL8301905 0.70 MMP12 (0.78) MMP12MMP13MMP8MMP3MMP9
SCHEMBL6369477 0.70 MMP12 (0.74) MMP12MMP13MMP8MMP3MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493739-A1 Thiophene derivatives of aminoacids, process for the preparation thereof and compositions containing them Warner-Lambert Company LLC (US) 2005-01-05 EP claimed
EP-1493739-A1 Thiophene derivatives of aminoacids, process for the preparation thereof and compositions containing them Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed