SCHEMBL6940764

SCHEMBL6940764

CCCCS(=O)(=O)C(/C=C/c1ccccc1)(Cc1ccccc1)[C@H](C(=O)NOC1CCCCO1)[C@@H](CC(C)C)C(=O)NN

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
REN P00797 5/20 0.31
APP P05067 1/20 0.30
FKBP1A P62942 1/20 0.30

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
SCHEMBL6946835 0.94 ADAM17 (0.32) MMP9RENAPP
SCHEMBL6943971 0.90 ADAM17 (0.32) MMP9REN
SCHEMBL6942507 0.87 FKBP1A (0.32) MMP9FKBP1A
SCHEMBL7100566 0.87 MMP2 (0.30) MMP9
SCHEMBL7105143 0.87 ADAM17 (0.32) MMP9
SCHEMBL7104737 0.86 CHRM2 (0.32)
SCHEMBL7100916 0.86 CHRM2 (0.33)
SCHEMBL6944327 0.86 TGFBR1 (0.31)
SCHEMBL6945328 0.85 ADAM17 (0.33) MMP9
SCHEMBL6947183 0.85 ALDH1A1 (0.32) MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed