SCHEMBL9067765

SCHEMBL9067765

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MME P08473 5/20 0.51
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.45
FOLH1 Q04609 3/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 1/20 0.42
MMP7 P09237 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 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
SCHEMBL9069293 0.89 ALDH1A1 (0.56) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL11440933 0.86 ALDH1A1 (0.46) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL11563990 0.86 ALDH1A1 (0.46) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL9068534 0.86 ACE (0.43) ALDH1A1MME
SCHEMBL10920363 0.86 ACE (0.43) ALDH1A1MME
SCHEMBL11321753 0.85 CPB2 (0.55) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL10916226 0.84 ALDH1A1 (0.44) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL11124818 0.83 MME (0.70) MMEMMP2MMP9MMP7MMP12
SCHEMBL7324192 0.83 MME (0.70) MMEMMP2MMP9MMP7MMP12
SCHEMBL9068808 0.83 MMP2 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726903-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-08-21 EP disclosed
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 WO disclosed