SCHEMBL11440933

SCHEMBL11440933

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MME P08473 5/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.39
BIRC2 Q13490 1/20 0.38
FOLH1 Q04609 2/20 0.38

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
SCHEMBL11563990 1.00 ALDH1A1 (0.46) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL11432902 0.86 MME (0.43) MME
SCHEMBL9067765 0.86 ALDH1A1 (0.54) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL11440881 0.83 ECE1 (0.43) ALDH1A1MME
SCHEMBL11434045 0.83 FOLH1 (0.43) MMEFOLH1
SCHEMBL11430631 0.82 LTA4H (0.43) ALDH1A1MMELMNA
SCHEMBL11433289 0.79 CYP1A2 (0.52) MME
SCHEMBL9069293 0.79 ALDH1A1 (0.56) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL11321753 0.78 CPB2 (0.55) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL11433441 0.76 CPB2 (0.49) ALDH1A1MMELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228077-A N-[2-(mercaptoalkyl)-3-mercaptoalkanoyl]-l-tryptophanes E. R. SQUIBB & SONS, INC. (US) 1980-10-14 US disclosed
US-4206121-A ANGIOTENSIN, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1980-06-03 US disclosed
US-4178291-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-12-11 US disclosed
US-4176235-A ANGIOTENSIN COVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-11-27 US disclosed
US-4175199-A Substituted acyl derivatives of amino acids E. R. SQUIBB & SONS, INC. (US) 1979-11-20 US disclosed
US-4154936-A ENZYME INHIBITORS, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4140864-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4116962-A ANGIOTENSIN CONVERTING ENXYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1978-09-26 US disclosed