SCHEMBL8340728

SCHEMBL8340728

COc1cc(CC(C)=O)ccc1-c1ccc(-c2csc(C(=O)NCc3ccc(CC(=O)O)cc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.64
SMN1; SMN2 Q16637 1/20 0.42
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
EGFR P00533 1/20 0.40
NR1H4 Q96RI1 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 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
SCHEMBL6882200 0.89 MMP12 (0.50) MMP12SMN1; SMN2EGFRALDH1A1ROCK2
SCHEMBL6455151 0.86 MMP12 (0.66) MMP12SMN1; SMN2NR1H4ALDH1A1KMT2A
SCHEMBL8341227 0.83 MMP12 (0.77) MMP12SMN1; SMN2ALDH1A1MMP13MMP2
SCHEMBL6450538 0.80 MMP12 (0.69) MMP12SMN1; SMN2DGAT1EGFRNR1H4
SCHEMBL6873364 0.80 MMP12 (0.74) MMP12EGFRNR1H4ROCK2ROCK1
SCHEMBL6884793 0.79 MMP12 (0.49) MMP12SMN1; SMN2EGFRNR1H4ALDH1A1
SCHEMBL6873463 0.79 MMP12 (0.71) MMP12EGFRNR1H4MMP13MMP2
SCHEMBL8342785 0.79 MMP12 (0.59) MMP12SMN1; SMN2EGFRALDH1A1NFKB1
SCHEMBL6461928 0.77 MMP12 (1.00) MMP12EGFRNR1H4ALDH1A1GAA
SCHEMBL8339276 0.76 MMP12 (0.75) MMP12SMN1; SMN2NR1H4ROCK2ROCK1

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