SCHEMBL9068566

SCHEMBL9068566

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MME P08473 3/20 0.56
ACE P12821 5/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.51
FOLH1 Q04609 4/20 0.49
NAALAD2 Q9Y3Q0 2/20 0.48

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
SCHEMBL9068565 1.00 ALDH1A1 (0.58) ALDH1A1MMEACEMEN1LMNA
SCHEMBL23835494 0.86 ACE (0.71) ACEMAPT
SCHEMBL15223612 0.86 ALDH1A1 (0.64) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL930664 0.86 ACE (0.71) ACEMAPT
SCHEMBL2871612 0.85 MME (0.68) ALDH1A1MMEACEMEN1LMNA
SCHEMBL9067110 0.84 MME (0.67) ALDH1A1MMEACEMEN1LMNA
SCHEMBL9068520 0.83 ACE (0.56) MMEACE
SCHEMBL9545240 0.82 ALDH1A1 (0.55) ALDH1A1MMEACEMEN1LMNA
SCHEMBL9545245 0.82 ALDH1A1 (0.55) ALDH1A1MMEACEMEN1LMNA
SCHEMBL929013 0.81 ACE (0.55) ACE

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
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed