SCHEMBL8773906

SCHEMBL8773906

CC(C)CC(CC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.55
ALDH1A1 P00352 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 1/20 0.46
MMP7 P09237 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.42
RRM1 P23921 1/20 0.41
RRM2 P31350 1/20 0.41
RRM2B Q7LG56 1/20 0.41
CAPN1 P07384 1/20 0.41

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
SCHEMBL9066930 0.89 BIRC2 (0.46) MMEALDH1A1CTSLCTSBCTSS
SCHEMBL8773913 0.83 LTA4H (0.49) CTSSCTSKMMP2KMT2A
SCHEMBL8773895 0.82 MME (0.54) MMEMMP2MMP9MMP7MMP12
SCHEMBL8773904 0.81 MME (0.53) MMEMMP2MMP9MMP7MMP12
SCHEMBL1915928 0.81 SLC1A3 (0.44) MMECTSLCTSBCTSSCTSK
SCHEMBL1705392 0.81 SLC1A3 (0.44) MMECTSLCTSBCTSSCTSK
SCHEMBL4633094 0.81 SLC1A3 (0.44) MMECTSLCTSBCTSSCTSK
SCHEMBL9068163 0.81 CTSS (0.44) MMEALDH1A1CTSLCTSBCTSS
SCHEMBL8050661 0.80 MMP1 (0.48) MMECTSLCTSBCTSSCTSK
SCHEMBL7368385 0.80 MME (0.81) MMEALDH1A1MMP2MMP9MMP8

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-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO disclosed