SCHEMBL8343263

SCHEMBL8343263

CCOC(=O)[C@@H](NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 9/20 0.58
MMP13 P45452 2/20 0.58
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ABL1 P00519 1/20 0.45
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
ULK1 O75385 2/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
ULK2 Q8IYT8 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL6878778 0.87 MMP12 (0.69) MMP12MMP13ALDH1A1HPGDABL1
SCHEMBL6882182 0.85 MMP12 (0.57) MMP12MMP13ABL1EPHX2PPARG
SCHEMBL8301905 0.83 MMP12 (0.78) MMP12MMP13ABL1EPHX2PPARG
SCHEMBL6451093 0.82 MMP12 (0.64) MMP12MMP13ABL1EPHX2PPARG
SCHEMBL6883411 0.80 MMP12 (0.64) MMP12MMP13ABL1SCN10AMMP3
SCHEMBL8300026 0.79 MMP12 (0.66) MMP12MMP13ABL1POLBMAPT
SCHEMBL8300028 0.78 MMP12 (0.58) MMP12MMP13ABL1EPHX2PPARG
SCHEMBL6451092 0.78 MMP12 (0.59) MMP12MMP13ABL1SCN10AULK1
SCHEMBL6468492 0.78 MMP12 (0.63) MMP12MMP13ABL1EPHX2SCN10A
SCHEMBL8339575 0.77 MMP12 (0.58) MMP12MMP13ALDH1A1HPGDABL1

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-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed