SCHEMBL6505161

SCHEMBL6505161

CC(=O)c1ccc(-c2ccc(-c3csc(C(=O)N[C@H](C(=O)O)c4ccccc4)c3)cc2)cc1.CC(=O)c1ccc(-c2ccc(-c3csc(C(=O)Nc4ccc(CC(=O)O)cc4)c3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 9/20 0.57
MMP13 P45452 3/20 0.57
NR1H4 Q96RI1 5/20 0.49
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 3/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL6369009 0.88 MMP12 (0.58) MMP12NR1H4MEN1TP53KMT2A
SCHEMBL6368918 0.87 MMP12 (0.74) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6369477 0.87 MMP12 (0.74) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8301127 0.77 MMP12 (0.57) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6367846 0.76 MMP12 (0.76) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8300063 0.76 MMP12 (0.76) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6451843 0.74 POLB (0.60) MMP12MMP13NR1H4MMP8MEN1
SCHEMBL6455132 0.74 NR1H4 (0.64) MMP12NR1H4MEN1TP53KMT2A
SCHEMBL6456631 0.74 MMP12 (0.57) MMP12NR1H4MEN1TP53KMT2A
SCHEMBL6367844 0.72 MMP12 (0.51) MMP12MMP13MMP3MMP9MMP8

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-2005003115-A1 THIOPHENE AMINO ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO claimed