SCHEMBL6981664

SCHEMBL6981664

CC(C)C[C@@H](C(=O)O)[C@H](CCN)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.39
SLC7A5 Q01650 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NOS1 P29475 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
FOLH1 Q04609 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
XBP1 P17861 1/20 0.32
RECQL P46063 1/20 0.32
POLB P06746 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
SCHEMBL6981662 1.00 GABRR1 (0.39) GABRR1SLC7A5CTSLCTSBCTSS
SCHEMBL5679507 0.91 CPB2 (0.37) GABRR1SLC7A5CTSLCTSBCTSS
SCHEMBL7518207 0.87 CTSL (0.39) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL7518209 0.87 CTSL (0.39) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL15015766 0.87 CTSL (0.39) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL7762836 0.87 CTSL (0.39) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL7838363 0.86 CTSK (0.35) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL27450608 0.86 CTSK (0.35) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL7838358 0.86 CTSK (0.35) SLC7A5CTSLCTSBCTSSCTSK
SCHEMBL7838360 0.86 CTSK (0.35) SLC7A5CTSLCTSBCTSSCTSK

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