SCHEMBL7836876

SCHEMBL7836876

CC(C)CC(C(=O)Nn1c(=O)[nH]c(=O)[nH]c1=O)[C@@H](CCCC1CCCCC1)C(=O)NOCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.38
APP P05067 4/20 0.37
CTSK P43235 6/20 0.36
CTSL P07711 4/20 0.36
CTSS P25774 3/20 0.36
BCHE P06276 1/20 0.35
CTSB P07858 1/20 0.35
ECE1 P42892 1/20 0.35
MMP3 P08254 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP10 P09238 1/20 0.35
MMP9 P14780 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
SCHEMBL7836878 1.00 REN (0.38) RENAPPCTSKCTSLCTSS
SCHEMBL7946725 0.86 MMP1 (0.42) CTSKCTSLCTSSCTSBECE1
SCHEMBL7946723 0.86 MMP1 (0.42) CTSKCTSLCTSSCTSBECE1
SCHEMBL7843490 0.83 MMP1 (0.41) APPBCHEMMP3PSEN1PSEN2
SCHEMBL7843485 0.83 MMP1 (0.41) APPBCHEMMP3PSEN1PSEN2
SCHEMBL7840896 0.80 REN (0.35) RENBCHEMMP3MMP1
SCHEMBL7847344 0.80 REN (0.35) RENBCHEMMP3MMP1
SCHEMBL7844905 0.75 L3MBTL1 (0.43) ECE1MMP3MMP1MMP2MMP7
SCHEMBL7844907 0.75 L3MBTL1 (0.43) ECE1MMP3MMP1MMP2MMP7
SCHEMBL7955739 0.74 MMP1 (0.49) APPMMP3MMP1MMP2MMP7

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