SCHEMBL7955448

SCHEMBL7955448

CC(C)CC(C(=O)NN1C(=O)CNC1=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.47
MMP3 P08254 11/20 0.47
MMP7 P09237 9/20 0.47
FCER2 P06734 7/20 0.45
MMP1 P03956 12/20 0.44
MMP8 P22894 3/20 0.44
ADAM17 P78536 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL7955450 1.00 MMP2 (0.47) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7835182 0.87 MMP2 (0.41) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7946622 0.87 MMP2 (0.41) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7946619 0.87 MMP2 (0.41) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7955728 0.82 MMP1 (0.47) MMP2MMP3MMP7FCER2MMP1
SCHEMBL27449166 0.82 MMP1 (0.47) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7840632 0.82 MMP1 (0.47) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7839520 0.82 MMP1 (0.47) MMP2MMP3MMP7FCER2MMP1
SCHEMBL7955767 0.82 ITGB1 (0.36) MMP2MMP3MMP7MMEACE
SCHEMBL6220773 0.81 ADAM17 (0.55) MMP2MMP3MMP7FCER2MMP1

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
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US claimed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed