SCHEMBL7955667

SCHEMBL7955667

CCOC(=O)N1CCC2(CC1)NC(=O)N(NC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)NO)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.40
MMP13 P45452 2/20 0.40
APP P05067 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
MMP2 P08253 2/20 0.37
MMP7 P09237 2/20 0.37
MMP10 P09238 1/20 0.37
MMP9 P14780 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL7849143 0.95 HDAC1 (0.41) MMP1MMP13APPMMP2MMP7
SCHEMBL7848201 0.91 L3MBTL1 (0.36) MMP1MMP13L3MBTL1ALDH1A1CYP1A2
SCHEMBL7946524 0.89 MMP1 (0.43) MMP1MMP13APPMMP2MMP7
SCHEMBL7946527 0.89 MMP1 (0.43) MMP1MMP13APPMMP2MMP7
SCHEMBL7955777 0.88 MMP1 (0.45) MMP1MMP13APPMMP2MMP7
SCHEMBL7839022 0.88 MMP1 (0.45) MMP1MMP13APPMMP2MMP7
SCHEMBL7847049 0.87 MMP1 (0.44) MMP1MMP13APPL3MBTL1MMP2
SCHEMBL7847046 0.87 MMP1 (0.44) MMP1MMP13APPL3MBTL1MMP2
SCHEMBL7846148 0.86 MMP1 (0.41) MMP1MMP13APPPOLBMMP2
SCHEMBL7846151 0.86 MMP1 (0.41) MMP1MMP13APPPOLBMMP2

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