SCHEMBL9067110

SCHEMBL9067110

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.67
ALDH1A1 P00352 2/20 0.56
ECE1 P42892 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
ACE P12821 1/20 0.53
MAPT P10636 1/20 0.50
FOLH1 Q04609 2/20 0.47

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
SCHEMBL2871612 0.95 MME (0.68) MMEALDH1A1ECE1MEN1LMNA
SCHEMBL11433538 0.90 MME (0.63) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL7407245 0.88 MME (0.58) MMEALDH1A1ECE1MEN1LMNA
SCHEMBL7407242 0.88 MME (0.58) MMEALDH1A1ECE1MEN1LMNA
SCHEMBL7407238 0.88 MME (0.58) MMEALDH1A1ECE1MEN1LMNA
SCHEMBL7415847 0.88 MME (0.58) MMEALDH1A1ECE1MEN1LMNA
SCHEMBL9068565 0.84 ALDH1A1 (0.58) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL9068566 0.84 ALDH1A1 (0.58) MMEALDH1A1MEN1LMNAKMT2A
SCHEMBL9068638 0.84 MME (0.58) MMEECE1ACE
SCHEMBL11325012 0.83 MME (0.56) MMEALDH1A1MEN1LMNAKMT2A

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