SCHEMBL9439031

SCHEMBL9439031

C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C2COCC2C[C@@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP3A4 P08684 3/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
PREP P48147 2/20 0.48
CAPN1 P07384 2/20 0.45
CYP1A2 P05177 2/20 0.45
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL9439036 1.00 ACE (0.49) ACEMEN1KMT2ACYP3A4LMNA
SCHEMBL9439084 1.00 ACE (0.49) ACEMEN1KMT2ACYP3A4LMNA
SCHEMBL9170195 0.87 ACE (0.64) ACEMEN1KMT2ACYP3A4LMNA
SCHEMBL9439136 0.87 ACE (0.64) ACEMEN1KMT2ACYP3A4LMNA
SCHEMBL9170201 0.87 ACE (0.64) ACEMEN1KMT2ACYP3A4LMNA
SCHEMBL10591582 0.87 ACE (0.64) ACEMEN1KMT2ACYP3A4LMNA
SCHEMBL23645269 0.81 HTR2C (0.48) ACEMEN1KMT2APREPALDH1A1
SCHEMBL9438775 0.79 ACE (0.66) ACEMEN1KMT2ACYP3A4LMNA
SCHEMBL9438933 0.79 ACE (0.69) ACEMEN1KMT2ACYP3A4LMNA
SCHEMBL9438765 0.79 ACE (0.66) ACEMEN1KMT2ACYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348944-A Hypotensive agents SCHERING CORPORATION (US) 1994-09-20 US disclosed
WO-1986007056-A1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1986-12-04 WO disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 EP disclosed