SCHEMBL6986897

SCHEMBL6986897

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(/C=C/c1ccccc1)(CCOC1CCCCO1)C(=O)[C@@H](C)N

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP1 P29466 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 1/20 0.30
CASP6 P55212 1/20 0.30
CASP8 Q14790 1/20 0.30
MGLL Q99685 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL6986731 0.90 MMP2 (0.31) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6982341 0.90 CTSC (0.30)
SCHEMBL6986331 0.90
SCHEMBL6988674 0.90 MMP2 (0.31) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6987274 0.89 MMP2 (0.31) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6987085 0.89 MMP2 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6982294 0.89 MMP2 (0.30) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6987112 0.88 MMP2 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6979980 0.88
SCHEMBL6982932 0.86 P2RX3 (0.32) CASP1CASP3CASP7CASP6CASP8

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