SCHEMBL7843485

SCHEMBL7843485

CC(C)CC(C(=O)Nn1c(=O)[nH]c(=O)[nH]c1=O)[C@@H](CCCC1CCCCC1)C(=O)NO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.41
MMP3 P08254 9/20 0.41
MMP2 P08253 7/20 0.38
MMP8 P22894 4/20 0.38
MMP7 P09237 2/20 0.38
APP P05067 2/20 0.38
BMP1 P13497 6/20 0.35
MMP9 P14780 3/20 0.35
MMP13 P45452 3/20 0.35
MMP14 P50281 2/20 0.35
BCHE P06276 1/20 0.35
ADAM17 P78536 2/20 0.33
MMP10 P09238 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL7843490 1.00 MMP1 (0.41) MMP1MMP3MMP2MMP8MMP7
SCHEMBL7847344 0.87 REN (0.35) MMP1MMP3BCHE
SCHEMBL7840896 0.87 REN (0.35) MMP1MMP3BCHE
SCHEMBL7836876 0.83 REN (0.38) MMP1MMP3MMP2MMP7APP
SCHEMBL7836878 0.83 REN (0.38) MMP1MMP3MMP2MMP7APP
SCHEMBL7955084 0.81 MMP1 (0.41) MMP1MMP3MMP2MMP8MMP7
SCHEMBL7840534 0.81 MMP1 (0.41) MMP1MMP3MMP2MMP8MMP7
SCHEMBL6221567 0.81 MMP1 (0.41) MMP1MMP3MMP2MMP8MMP7
SCHEMBL6221572 0.81 MMP1 (0.41) MMP1MMP3MMP2MMP8MMP7
SCHEMBL7955742 0.77 MMP1 (0.49) MMP1MMP3MMP2MMP8MMP7

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