SCHEMBL6470969

SCHEMBL6470969

CC(=O)Nc1ccc(O)c(-c2ccc(-c3csc(C(=O)NCCN4CCOCC4)c3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.68
MMP2 P08253 1/20 0.64
MMP8 P22894 1/20 0.64
MMP13 P45452 1/20 0.64
ULK1 O75385 1/20 0.49
CD274 Q9NZQ7 6/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SYK P43405 1/20 0.43
ERN1 O75460 1/20 0.43
JAK2 O60674 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6470971 0.86 MMP12 (0.75) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6454268 0.82 MMP12 (0.83) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6461948 0.81 MMP12 (1.00) MMP12MMP2MMP8MMP13ULK1
SCHEMBL8343094 0.81 MMP12 (0.82) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6469642 0.80 MMP12 (0.80) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6462835 0.80 MMP12 (1.00) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6469944 0.79 MMP12 (0.78) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6451844 0.79 MMP12 (0.83) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6457123 0.79 MMP12 (0.82) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6470083 0.79 MMP12 (0.82) MMP12MMP2MMP8MMP13ULK1

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