SCHEMBL6468951

SCHEMBL6468951

O=C(O)c1cccc(-c2ccc(-c3csc(C(=O)NCCN4CCOCC4)c3)cc2)c1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.83
MMP2 P08253 1/20 0.68
MMP8 P22894 1/20 0.68
MMP13 P45452 1/20 0.68
CD274 Q9NZQ7 5/20 0.60
HPGD P15428 1/20 0.60
ERN1 O75460 1/20 0.56
ULK1 O75385 1/20 0.53
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGDS O60760 1/20 0.49

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
SCHEMBL6451844 0.91 MMP12 (0.83) MMP12MMP2MMP8MMP13CD274
SCHEMBL6462835 0.91 MMP12 (1.00) MMP12MMP2MMP8MMP13CD274
SCHEMBL6882175 0.90 MMP12 (0.75) MMP12MMP2MMP8MMP13CD274
SCHEMBL6468818 0.88 MMP12 (0.82) MMP12MMP2MMP8MMP13CD274
SCHEMBL6452211 0.86 MMP12 (0.79) MMP12MMP2MMP8MMP13CD274
SCHEMBL6467044 0.85 MMP12 (0.76) MMP12MMP2MMP8MMP13CD274
SCHEMBL6454268 0.84 MMP12 (0.83) MMP12MMP2MMP8MMP13CD274
SCHEMBL6470397 0.84 MMP12 (0.75) MMP12MMP2MMP8MMP13CD274
SCHEMBL6470971 0.84 MMP12 (0.75) MMP12MMP2MMP8MMP13CD274
SCHEMBL6468990 0.84 MMP12 (0.75) MMP12MMP2MMP8MMP13CD274

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP claimed
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
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP disclosed