SCHEMBL7368385

SCHEMBL7368385

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

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.81
ALDH1A1 P00352 2/20 0.56
MMP2 P08253 4/20 0.54
MMP9 P14780 4/20 0.54
MMP8 P22894 2/20 0.54
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
FOLH1 Q04609 2/20 0.51
MMP7 P09237 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
MAPT P10636 1/20 0.50
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
RRM1 P23921 1/20 0.46
RRM2 P31350 1/20 0.46
RRM2B Q7LG56 1/20 0.46

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
SCHEMBL7763152 0.85 MMP2 (0.75) MMEMMP2MMP9MMP8MMP7
SCHEMBL11412632 0.84 MME (0.58) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL21994104 0.83 MME (0.67) MMEALDH1A1MMP2MMP9MMP8
SCHEMBL9067110 0.82 MME (0.67) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL8897160 0.81 ALDH1A1 (0.60) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL11122736 0.81 MME (0.76) MMEMMP2MMP9MMP7MMP12
SCHEMBL11119164 0.81 MME (0.76) MMEMMP2MMP9MMP7MMP12
SCHEMBL11122734 0.81 MME (0.76) MMEMMP2MMP9MMP7MMP12
SCHEMBL11122302 0.81 MME (0.76) MMEMMP2MMP9MMP7MMP12
SCHEMBL11119167 0.81 MME (0.76) MMEMMP2MMP9MMP7MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
EP-0726903-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-08-21 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 WO disclosed