SCHEMBL31376307

SCHEMBL31376307

C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.64
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.55
ACE2 Q9BYF1 3/20 0.55
LTA4H P09960 2/20 0.53

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
SCHEMBL26616455 1.00 ACE (0.64) ACELMNASMN1; SMN2ACE2LTA4H
SCHEMBL26616380 1.00 ACE (0.64) ACELMNASMN1; SMN2ACE2LTA4H
SCHEMBL26616457 1.00 ACE (0.64) ACELMNASMN1; SMN2ACE2LTA4H
SCHEMBL26616386 1.00 ACE (0.64) ACELMNASMN1; SMN2ACE2LTA4H
SCHEMBL26616548 0.97 ACE (0.60) ACELMNASMN1; SMN2ACE2LTA4H
SCHEMBL26616554 0.97 ACE (0.60) ACELMNASMN1; SMN2ACE2LTA4H
SCHEMBL9814474 0.93 ACE (0.67) ACELMNASMN1; SMN2ACE2LTA4H
SCHEMBL31376312 0.92 ACE (0.57) ACELMNASMN1; SMN2
SCHEMBL30674426 0.92 ACE (0.57) ACELMNASMN1; SMN2
SCHEMBL26616536 0.92 ACE (0.57) 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-119451944-A PREP binding ligands 珀尔库治疗有限公司 2025-02-14 CN disclosed