SCHEMBL7846148

SCHEMBL7846148

CC(C)CC(C(=O)NN1C(=O)NC2(CCN(S(C)(=O)=O)CC2)C1=O)[C@@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.41
MMP13 P45452 2/20 0.41
APP P05067 2/20 0.39
MMP8 P22894 4/20 0.38
MMP2 P08253 7/20 0.35
MMP9 P14780 3/20 0.35
ADAM17 P78536 3/20 0.35
POLB P06746 1/20 0.35
MMP3 P08254 5/20 0.35
MMP7 P09237 3/20 0.35
MMP10 P09238 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
MMP14 P50281 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ANPEP P15144 1/20 0.35
FCER2 P06734 1/20 0.35

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
SCHEMBL7846151 1.00 MMP1 (0.41) MMP1MMP13APPMMP8MMP2
SCHEMBL7946539 0.93 MMP1 (0.41) MMP1MMP13APPMMP8MMP2
SCHEMBL7946538 0.93 MMP1 (0.41) MMP1MMP13APPMMP8MMP2
SCHEMBL7946524 0.90 MMP1 (0.43) MMP1MMP13APPMMP8MMP2
SCHEMBL7946527 0.90 MMP1 (0.43) MMP1MMP13APPMMP8MMP2
SCHEMBL7946782 0.90 MMP1 (0.36) MMP1MMP13ADAM17POLBMMP3
SCHEMBL7946779 0.90 MMP1 (0.36) MMP1MMP13ADAM17POLBMMP3
SCHEMBL7955777 0.89 MMP1 (0.45) MMP1MMP13APPMMP8MMP2
SCHEMBL7839022 0.89 MMP1 (0.45) MMP1MMP13APPMMP8MMP2
SCHEMBL7847046 0.88 MMP1 (0.44) MMP1MMP13APPMMP8MMP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed