SCHEMBL6984591

SCHEMBL6984591

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(CCCCNC(=O)OCc1ccccc1)(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.38
CTSL P07711 3/20 0.38
CTSS P25774 3/20 0.38
CYP1A2 P05177 1/20 0.38
MMP3 P08254 2/20 0.36
CPB1 P15086 1/20 0.36
CPB2 Q96IY4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA5A P35218 1/20 0.34

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
SCHEMBL6986860 0.89 MMP3 (0.35) CTSKCTSLCTSSMMP3MEN1
SCHEMBL6982709 0.88 CTSK (0.37) CTSKCTSLCTSSCYP1A2MMP3
SCHEMBL6986123 0.84 CTSS (0.36) CTSKCTSLCTSSCYP1A2MMP3
SCHEMBL6983113 0.82 CYP1A2 (0.36) CTSKCTSLCTSSCYP1A2CPB1
SCHEMBL6984595 0.75 CYP1A2 (0.37) CTSKCTSLCTSSCYP1A2MMP3
SCHEMBL6981703 0.74 MMP3 (0.33) MMP3
SCHEMBL6982715 0.73 CYP1A2 (0.37) CTSKCTSLCTSSCYP1A2MMP3
SCHEMBL7812670 0.73 GPR88 (0.32) MMP3MEN1KMT2A
SCHEMBL6982283 0.73 REN (0.36) CTSKCTSSMMP3
SCHEMBL6983813 0.72 MEN1 (0.36) CTSSCYP1A2MMP3MEN1KMT2A

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