SCHEMBL6982709

SCHEMBL6982709

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.37
CTSL P07711 3/20 0.37
CTSS P25774 3/20 0.37
CYP1A2 P05177 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CAPN1 P07384 1/20 0.36
CAPN2 P17655 1/20 0.36
HTT P42858 1/20 0.35
MMP3 P08254 1/20 0.35
CPB1 P15086 1/20 0.34
CPB2 Q96IY4 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
SCHEMBL6986123 0.95 CTSS (0.36) CTSKCTSLCTSSCYP1A2MEN1
SCHEMBL6983113 0.90 CYP1A2 (0.36) CTSKCTSLCTSSCYP1A2MEN1
SCHEMBL6984591 0.88 CTSK (0.38) CTSKCTSLCTSSCYP1A2MEN1
SCHEMBL6981703 0.84 MMP3 (0.33) MMP3
SCHEMBL6982283 0.80 REN (0.36) CTSKCTSSMMP3
SCHEMBL7812670 0.80 GPR88 (0.32) MEN1KMT2AMMP3
SCHEMBL6986860 0.78 MMP3 (0.35) CTSKCTSLCTSSMEN1KMT2A
SCHEMBL6981386 0.75 REN (0.38) CTSKCTSSMMP3
SCHEMBL6982715 0.75 CYP1A2 (0.37) CTSKCTSLCTSSCYP1A2MEN1
SCHEMBL6981382 0.74 REN (0.32) MMP3

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