SCHEMBL9545240

SCHEMBL9545240

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MME P08473 3/20 0.54
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
ACE P12821 1/20 0.51
LAP3 P28838 3/20 0.51
MAPT P10636 1/20 0.49
SLC7A5 Q01650 1/20 0.47
LTA4H P09960 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
FOLH1 Q04609 2/20 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
SCHEMBL9545245 1.00 ALDH1A1 (0.55) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL29566961 0.92 MME (0.49) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL30011110 0.92 ACE (0.56) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL30010902 0.92 ACE (0.56) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL30010855 0.92 ACE (0.56) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL30010989 0.92 ACE (0.56) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL29714714 0.91 FNTA (0.48) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL31469847 0.90 MME (0.46) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL31720932 0.89 ACE (0.51) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL29893864 0.89 FOLH1 (0.58) ALDH1A1MMEFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993021211-A1 AMIDES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATORIOS MENARINI S.A. (ES) 1993-10-28 WO disclosed