SCHEMBL8300028

SCHEMBL8300028

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 10/20 0.58
MMP13 P45452 3/20 0.58
MME P08473 1/20 0.43
ABL1 P00519 1/20 0.42
EPHX2 P34913 2/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MMEL1 Q495T6 2/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
POLB P06746 1/20 0.40
FPR2 P25090 1/20 0.40
KLKB1 P03952 1/20 0.40
MAPT P10636 1/20 0.40

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 0.89 MMP12 (0.64) MMP12MMP13MMEABL1MMEL1
SCHEMBL8299546 0.89 MMP12 (0.64) MMP12MMP13MMEABL1MMEL1
SCHEMBL8300026 0.86 MMP12 (0.66) MMP12MMP13ABL1MMP3MMP9
SCHEMBL6882182 0.84 MMP12 (0.57) MMP12MMP13ABL1EPHX2PPARG
SCHEMBL6368969 0.81 MMP12 (0.70) MMP12MMP13MMEABL1MMP3
SCHEMBL8301905 0.81 MMP12 (0.78) MMP12MMP13ABL1EPHX2PPARG
SCHEMBL8343263 0.78 MMP12 (0.58) MMP12MMP13ABL1EPHX2PPARG
SCHEMBL6874949 0.77 MMP12 (0.57) MMP12MMP13ABL1EPHX2PPARG
SCHEMBL6883411 0.76 MMP12 (0.64) MMP12MMP13MMEABL1MMP3
SCHEMBL6451093 0.76 MMP12 (0.64) MMP12MMP13ABL1EPHX2PPARG

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