SCHEMBL7816201

SCHEMBL7816201

CC(C)C[C@@H](C(=O)NN(Cc1ccccc1)C(=O)Cn1ccnc1)[C@H](CCCc1ccccc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.44
MMP13 P45452 1/20 0.44
MMP8 P22894 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL6980734 0.91 KCNA5 (0.43) MMP1MMP13MMP8MMP2MMP3
SCHEMBL6981814 0.90 MMP1 (0.42) MMP1MMP13MMP8CYP3A4CYP2D6
SCHEMBL6982700 0.90 MMP1 (0.42) MMP1MMP13MMP8CYP3A4CYP2D6
SCHEMBL6980811 0.86 MMP1 (0.44) MMP1MMP13MMP8MMP2MMP3
SCHEMBL6982289 0.84 MMP1 (0.37) MMP1MMP13
SCHEMBL6978664 0.81 KCNA5 (0.38) MMP1MMP13MMP2MMP3MMP7
SCHEMBL6985193 0.81 MMP1 (0.50) MMP1MMP13MMP8MMP2MMP3
SCHEMBL6988045 0.78 CYP26A1 (0.38) CYP3A4CYP2D6
SCHEMBL6985388 0.78 MMP1 (0.38) MMP1MMP13MMP8CYP3A4CYP2D6
SCHEMBL6979855 0.78 MMP1 (0.38) MMP1MMP13MMP8MMP2MMP3

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