SCHEMBL6986731

SCHEMBL6986731

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(/C=C/c1ccccc1)(Cc1ccccc1)C(=O)[C@@H](C)N

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 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
MMP3 P08254 2/20 0.30
MMP1 P03956 1/20 0.30
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
SCHEMBL6988674 0.93 MMP2 (0.31) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6982294 0.91 MMP2 (0.30) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6987274 0.91 MMP2 (0.31) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6987085 0.91 MMP2 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6986897 0.90 MEN1 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6987112 0.90 MMP2 (0.32) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL6979980 0.90
SCHEMBL6986331 0.89
SCHEMBL6982341 0.89 CTSC (0.30)
SCHEMBL6946851 0.88 MMP2 (0.33) 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 3 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-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