SCHEMBL9068558

SCHEMBL9068558

CSCC[C@H](NC(=O)C(C)CSC(C)=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MME P08473 2/20 0.44
ACE P12821 1/20 0.44
FOLH1 Q04609 1/20 0.43
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41
CA2 P00918 1/20 0.40

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
SCHEMBL9069245 0.84 NAALAD2 (0.51) MMEACEFOLH1
SCHEMBL9069230 0.81 ACE (0.49) MMEACE
SCHEMBL11272524 0.81 ACE (0.43) MMEACEFOLH1CA2
SCHEMBL11414784 0.80 LTA4H (0.48) LMNAFOLH1LTA4HALDH1A1NPSR1
SCHEMBL9069293 0.80 ALDH1A1 (0.56) LMNAMMEACEFOLH1ALDH1A1
SCHEMBL9068525 0.80 FNTA (0.51) LMNAACE
SCHEMBL7433763 0.80 ACE (0.43) MMEACEFOLH1
SCHEMBL7433759 0.80 ACE (0.43) MMEACEFOLH1
SCHEMBL29204872 0.79 LMNA (0.53) LMNAFOLH1LTA4HALDH1A1NPSR1
SCHEMBL11415088 0.79 NAALAD2 (0.49) LMNAFOLH1LTA4HALDH1A1NPSR1

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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
US-4339600-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1982-07-13 US disclosed
US-4199512-A Compounds for alleviating hypertension E. R. SQUIBB & SONS, INC. (US) 1980-04-22 US disclosed
US-4173704-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-11-06 US disclosed
US-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4140797-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4112119-A MERCAPTOACYL AMINOACIDS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4053651-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US disclosed