SCHEMBL9439136

SCHEMBL9439136

C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C2CCCCC2C[C@@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
PREP P48147 2/20 0.54
CYP1A2 P05177 1/20 0.48
CASP1 P29466 2/20 0.46

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
SCHEMBL9170195 1.00 ACE (0.64) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9170201 1.00 ACE (0.64) ACEMEN1KMT2AUSP2LMNA
SCHEMBL10591582 0.98 ACE (0.64) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9175234 0.90 ACE (0.60) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9176326 0.90 ACE (0.60) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9732240 0.89 ACE (0.51) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9439036 0.87 ACE (0.49) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9439084 0.87 ACE (0.49) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9439031 0.87 ACE (0.49) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9256682 0.85 CTSL (0.54) ACEMEN1KMT2AUSP2LMNA

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-5348944-A Hypotensive agents SCHERING CORPORATION (US) 1994-09-20 US disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 EP disclosed