SCHEMBL6983943

SCHEMBL6983943

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](CCCCN)C(=O)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.35
GSR P00390 1/20 0.33
CA14 Q9ULX7 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RNPEP Q9H4A4 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
SCHEMBL6987450 1.00 CPB2 (0.35) CPB2GSRCA14HDAC1HDAC2
SCHEMBL6653557 0.88 CPB2 (0.36) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL17369161 0.86 CPB2 (0.39) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL7416589 0.86 CPB2 (0.42) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL1039473 0.86 CPB2 (0.42) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL2211497 0.86 CPB2 (0.42) CPB2GSRHDAC1HDAC2HDAC6
Ethylenediamine SCHEMBL17669759 0.85 CPB2 (0.41) CPB2GSRHDAC1HDAC2HDAC6
Ethylenediamine SCHEMBL17669758 0.85 CPB2 (0.41) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL1053261 0.84 CPB2 (0.34) CPB2GSRHDAC1HDAC2HDAC6
SCHEMBL1022347 0.81 CPB2 (0.40) CPB2GSRCA14HDAC1HDAC2

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed