SCHEMBL28510337

SCHEMBL28510337

CN(C(=O)OC(C)(C)C)[C@H](CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.58
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL28510341 1.00 ACE (0.58) ACELMNASMN1; SMN2
SCHEMBL28510339 1.00 ACE (0.58) ACELMNASMN1; SMN2
SCHEMBL22457757 0.91 ACE (0.55) ACELMNA
SCHEMBL6438312 0.91 ACE (0.55) ACELMNA
SCHEMBL7377534 0.88 LTA4H (0.52) ACELMNA
SCHEMBL22457522 0.87 ACE (0.51) ACELMNA
SCHEMBL28506583 0.84 ACE (0.45) ACELMNASMN1; SMN2
SCHEMBL22457752 0.80 KLK5 (0.47) ACE
SCHEMBL25054148 0.80 ACE (0.66) ACELMNASMN1; SMN2
SCHEMBL28588288 0.80 ACE (0.66) ACELMNASMN1; SMN2

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
CN-112165938-A Factor XIIA inhibitors 利兹大学 2021-01-01 CN disclosed