SCHEMBL7101854

SCHEMBL7101854

CCN(CC)CCCS(=O)(=O)C(/C=C/c1ccccc1)(CC(C)C)[C@H](C(=O)NOCc1ccccc1)[C@@H](CC(C)C)C(=O)NN

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.33
ECE1 P42892 1/20 0.33
CTSB P07858 1/20 0.33
BCHE P06276 4/20 0.31
ACHE P22303 4/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7104740 0.93 ADAM17 (0.34) ADAM17ECE1CTSBBCHEACHE
SCHEMBL7100580 0.90 CTSB (0.35) ADAM17ECE1CTSBMMP1MMP2
SCHEMBL7100102 0.90 ADAM17 (0.41) ADAM17BCHEACHEMMP1MMP2
SCHEMBL7106109 0.86 CTSB (0.35) ADAM17CTSB
SCHEMBL7102058 0.83 ADAM17 (0.36) ADAM17
SCHEMBL7100916 0.83 CHRM2 (0.33) ADAM17
SCHEMBL7104651 0.79 ADAM17 (0.42) ADAM17MMP1MMP2MMP3MMP7
SCHEMBL7103553 0.79 ADAM17 (0.42) ADAM17MMP1MMP2MMP3MMP7
SCHEMBL7104723 0.78 ADAM17 (0.44) ADAM17MMP1MMP2MMP3MMP7
SCHEMBL7104768 0.77 ADAM17 (0.37) ADAM17MMP1

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-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1133471-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US disclosed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed