SCHEMBL9068933

SCHEMBL9068933

C[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.69
ACE P12821 6/20 0.69
CPA1 P15085 3/20 0.64
ACE2 Q9BYF1 3/20 0.64

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
SCHEMBL9068932 1.00 MME (0.69) MMEACECPA1ACE2
SCHEMBL12781768 0.89 MME (0.67) MMEACECPA1ACE2
SCHEMBL6163836 0.88 MME (0.70) MMEACECPA1ACE2
SCHEMBL15223638 0.86 ALDH1A1 (0.76) MMEACECPA1ACE2
SCHEMBL28167944 0.86 MME (0.70) MMEACECPA1ACE2
SCHEMBL15223639 0.85 MME (0.66) MMEACECPA1ACE2
SCHEMBL11411651 0.85 MME (0.61) MMEACECPA1ACE2
SCHEMBL10174603 0.84 MME (0.86) MMEACECPA1ACE2
SCHEMBL11438800 0.84 MME (0.79) MME
SCHEMBL8510053 0.84 MME (0.69) MMEACECPA1ACE2

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