SCHEMBL7808546

SCHEMBL7808546

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NO)C(CNc1ccccc1)(CC(C)C)C(=O)Cn1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
HMOX2 P30519 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HRH4 Q9H3N8 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
AHR P35869 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
ADAM17 P78536 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 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
SCHEMBL7818934 0.94 CTSS (0.37) CTSSCTSKHMOX2KDM4EHRH4
SCHEMBL7816001 0.90 CTSK (0.41) CTSSCTSKKDM4EHRH4AHR
SCHEMBL6988039 0.89 CYP26A1 (0.36) HMOX2HRH4MMP2MMP9MMP8
SCHEMBL6987186 0.88 TBXAS1 (0.37) HMOX2HRH4MMP2MMP9MMP8
SCHEMBL6987467 0.83 CYP26A1 (0.36) HMOX2FNTAFNTBPGGT1B
SCHEMBL7816193 0.82 CTSS (0.35) CTSSCTSKHMOX2MMP8
SCHEMBL6982695 0.81 CTSS (0.33) CTSSCTSKHMOX2MMP8
SCHEMBL6985861 0.81 HMOX2 (0.35) HMOX2KDM4EHRH4MMP2MMP9
SCHEMBL6981901 0.79 HRH4 (0.39) CTSSCTSKHRH4FNTAFNTB
SCHEMBL6986413 0.79 CYP26A1 (0.37) CTSSCTSKNPSR1FNTAFNTB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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