SCHEMBL8299546

SCHEMBL8299546

O=C(O)CC(Cc1ccccc1)NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 10/20 0.64
MMP13 P45452 3/20 0.64
MME P08473 4/20 0.54
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMEL1 Q495T6 2/20 0.45
PIN1 Q13526 1/20 0.44
FPR2 P25090 1/20 0.44
ABL1 P00519 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.42

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
SCHEMBL6141808 1.00 MMP12 (0.64) MMP12MMP13MMEMMP3MMP9
SCHEMBL8300028 0.89 MMP12 (0.58) MMP12MMP13MMEMMP3MMP9
SCHEMBL6368969 0.86 MMP12 (0.70) MMP12MMP13MMEMMP3MMP9
SCHEMBL6367899 0.84 MMP12 (0.73) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6883411 0.83 MMP12 (0.64) MMP12MMP13MMEMMP3MMP9
SCHEMBL6142319 0.81 MMP12 (0.68) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6462719 0.80 MMP12 (0.64) MMP12MMP13ABL1
SCHEMBL6141819 0.79 MMP12 (0.71) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6368500 0.79 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141848 0.79 MMP12 (1.00) 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