SCHEMBL7955173

SCHEMBL7955173

CC(C)CC(C(=O)NN1CCNC1=O)[C@@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.47
MMP13 P45452 3/20 0.47
APP P05067 2/20 0.45
MMP8 P22894 3/20 0.44
TSHR P16473 1/20 0.41
MMP2 P08253 7/20 0.41
MMP3 P08254 6/20 0.41
MMP7 P09237 6/20 0.41
FCER2 P06734 1/20 0.40
ADAM17 P78536 3/20 0.40
MMP9 P14780 2/20 0.40
MMP14 P50281 2/20 0.40
MMP12 P39900 1/20 0.40
ANPEP P15144 1/20 0.40
MMP10 P09238 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39

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
SCHEMBL7835525 1.00 MMP1 (0.47) MMP1MMP13APPMMP8TSHR
SCHEMBL7955728 0.84 MMP1 (0.47) MMP1MMP13APPMMP8TSHR
SCHEMBL7839515 0.84 MMP1 (0.47) MMP1MMP13APPMMP8TSHR
SCHEMBL27449166 0.84 MMP1 (0.47) MMP1MMP13APPMMP8TSHR
SCHEMBL7839520 0.84 MMP1 (0.47) MMP1MMP13APPMMP8TSHR
SCHEMBL7840632 0.84 MMP1 (0.47) MMP1MMP13APPMMP8TSHR
SCHEMBL7845369 0.83 MMP1 (0.45) MMP1MMP13APPMMP8TSHR
SCHEMBL7839137 0.82 MMP1 (0.46) MMP1MMP13APPMMP8TSHR
SCHEMBL6221555 0.81 MMP1 (0.48) MMP1MMP13APPMMP8TSHR
SCHEMBL6221547 0.81 MMP1 (0.48) MMP1MMP13APPMMP8TSHR

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