SCHEMBL7840896

SCHEMBL7840896

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.35
BCHE P06276 1/20 0.35
NAAA Q02083 12/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
METAP2 P50579 1/20 0.32

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
SCHEMBL7847344 1.00 REN (0.35) RENBCHENAAAMMP1MMP3
SCHEMBL7843485 0.87 MMP1 (0.41) BCHEMMP1MMP3
SCHEMBL7843490 0.87 MMP1 (0.41) BCHEMMP1MMP3
SCHEMBL7953804 0.80 MMP1 (0.41) RENMMP1MMP3
SCHEMBL7953806 0.80 MMP1 (0.41) RENMMP1MMP3
SCHEMBL7836878 0.80 REN (0.38) RENBCHEMMP1MMP3
SCHEMBL7836876 0.80 REN (0.38) RENBCHEMMP1MMP3
SCHEMBL6943422 0.78 BCHE (0.39) RENBCHEMMP3
SCHEMBL7764176 0.78 BCHE (0.39) RENBCHEMMP3
SCHEMBL6943418 0.78 BCHE (0.39) RENBCHEMMP3

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