SCHEMBL6984057

SCHEMBL6984057

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(/C=C/c1ccccc1)(CC(C)C)C(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
ANPEP P15144 2/20 0.31
LTA4H P09960 1/20 0.31
LAP3 P28838 1/20 0.31
NPEPPS P55786 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
TGFBR1 P36897 1/20 0.31
P2RX3 P56373 1/20 0.30

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
SCHEMBL6946851 0.91 MMP2 (0.33) MGLLMMP2MMP9ANPEPLTA4H
SCHEMBL6986302 0.90 MMP2 (0.34) MGLLMMP2MMP9ANPEPLTA4H
SCHEMBL6988780 0.90 MMP2 (0.34) MGLLMMP2MMP9ANPEPLTA4H
SCHEMBL6945796 0.90 MMP2 (0.31) MGLLMMP2MMP9ANPEPLTA4H
SCHEMBL6988554 0.88 MMP2 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6987310 0.88 MMP2 (0.30) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6983153 0.87 MMP2 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6984220 0.87 P2RX3 (0.30) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6980542 0.87 MMP2 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6982294 0.87 MMP2 (0.30) MMP2MMP9ANPEPLTA4HLAP3

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 6 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
EP-1133471-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-6265446-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC.. 2001-07-24 US 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