SCHEMBL6983813

SCHEMBL6983813

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP3 P08254 2/20 0.35
REN P00797 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
DGAT1 O75907 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP1A2 P05177 1/20 0.33
MMP2 P08253 3/20 0.33
CTSS P25774 2/20 0.33
MMP9 P14780 2/20 0.33
APP P05067 1/20 0.33
LTA4H P09960 1/20 0.33
ANPEP P15144 1/20 0.33

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
SCHEMBL6987298 0.83 METAP2 (0.33) KMT2AALDH1A1MMP9
SCHEMBL6983935 0.81 CTSK (0.36) MMP2MMP9LTA4HANPEPLAP3
SCHEMBL7840445 0.79 MMP1 (0.46) MMP3MMP2APPERAP2ERAP1
SCHEMBL6947398 0.77 ADAM17 (0.34) MEN1TSHRKMT2AALDH1A1MMP2
SCHEMBL6937840 0.77 ADAM17 (0.34) MEN1TSHRKMT2AALDH1A1MMP2
SCHEMBL6986860 0.77 MMP3 (0.35) MEN1TSHRKMT2AMMP3REN
SCHEMBL7955132 0.76 ADAM17 (0.44) ALDH1A1MMP2MMP9APPLTA4H
SCHEMBL7835552 0.76 ADAM17 (0.44) ALDH1A1MMP2MMP9APPLTA4H
SCHEMBL6983815 0.76 MMP1 (0.41) MMP3CYP1A2MMP2APP
SCHEMBL4290067 0.76 MMP2 (0.41) MMP3MMP2

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