SCHEMBL9543558

SCHEMBL9543558

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.52
CTSK P43235 3/20 0.52
MME P08473 1/20 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
SCHEMBL9543550 1.00 ACE (0.52) ACECTSKMME
SCHEMBL5568411 0.91 ACE (0.55) ACEMME
SCHEMBL5377148 0.86 ACE (0.60) ACEMME
SCHEMBL9544907 0.85 CCKBR (0.56) CTSK
SCHEMBL5568859 0.82 DRD2 (0.45) ACE
SCHEMBL5563656 0.82 MC4R (0.41) ACECTSKMME
SCHEMBL9409863 0.81 XIAP (0.56) ACEMME
SCHEMBL16465568 0.81 XIAP (0.56) ACEMME
SCHEMBL16464700 0.81 XIAP (0.56) ACEMME
SCHEMBL9409870 0.81 XIAP (0.56) ACEMME

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed