Sugi Predict

Sugi Predict / Compounds / SCHEMBL7329937

SCHEMBL7329937

SCHEMBL7329937

CC(N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.67
▸ LMNA P02545 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ PREP P48147 2/20 0.55
▸ ACE2 Q9BYF1 4/20 0.52
▸ LTA4H P09960 2/20 0.52

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
SCHEMBL7359927 1.00 ACE (0.67) ACELMNASMN1; SMN2PREPACE2
SCHEMBL7333471 0.92 FKBP1A (0.60) ACELMNASMN1; SMN2PREP
SCHEMBL6418176 0.88 ACE (0.87) ACELMNASMN1; SMN2
SCHEMBL7321931 0.88 ACE (0.87) ACELMNASMN1; SMN2
SCHEMBL7327110 0.88 ACE (0.74) ACELMNASMN1; SMN2PREPACE2
SCHEMBL7871516 0.87 PREP (0.72) ACELMNASMN1; SMN2PREPACE2
SCHEMBL22209468 0.87 PREP (0.72) ACELMNASMN1; SMN2PREPACE2
SCHEMBL7334484 0.87 PREP (0.72) ACELMNASMN1; SMN2PREPACE2
SCHEMBL7322610 0.86 ACE (0.60) ACELMNASMN1; SMN2PREPACE2
SCHEMBL10866035 0.84 ACE (0.48) ACELMNASMN1; SMN2PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 — — US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 — — US disclosed