SCHEMBL6455151

SCHEMBL6455151

COc1cc(-c2ccc(-c3csc(C(=O)NCc4ccc(CC(=O)O)cc4)c3)cc2)ccc1CC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.66
NR1H4 Q96RI1 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
LMNA P02545 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 2/20 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
SCHEMBL6873463 0.88 MMP12 (0.71) MMP12NR1H4MMP2MMP8MMP13
SCHEMBL8340728 0.86 MMP12 (0.64) MMP12NR1H4SMN1; SMN2PPARGPPARA
SCHEMBL8341227 0.84 MMP12 (0.77) MMP12SMN1; SMN2HPGDMMP2MMP8
SCHEMBL6878974 0.79 MMP12 (0.55) MMP12SMN1; SMN2MMP2MMP8MMP13
SCHEMBL6875476 0.78 MMP12 (0.71) MMP12NR1H4MMP13RXRARXRB
SCHEMBL6874687 0.77 MMP12 (0.83) MMP12SMN1; SMN2PPARGPPARAHPGD
SCHEMBL8339276 0.77 MMP12 (0.75) MMP12NR1H4SMN1; SMN2RXRARXRB
SCHEMBL6880697 0.76 MMP12 (0.78) MMP12NR1H4MMP8MMP13LMNA
SCHEMBL6450538 0.76 MMP12 (0.69) MMP12NR1H4SMN1; SMN2HPGDHSD17B10
SCHEMBL6882200 0.75 MMP12 (0.50) MMP12SMN1; SMN2PPARGPPARAHPGD

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-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed