SCHEMBL9544192

SCHEMBL9544192

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC(=O)OC)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.58
CTSS P25774 1/20 0.47
REN P00797 1/20 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
SCHEMBL9544271 0.91 CTSK (0.59) CTSKCTSSREN
SCHEMBL9538641 0.84 CTSK (0.59) CTSKCTSS
SCHEMBL9545024 0.78 CTSK (0.48) CTSKCTSS
SCHEMBL3718681 0.77 JAK3 (0.68) CTSKCTSS
SCHEMBL9438871 0.77 CTSK (0.57) CTSKCTSS
SCHEMBL5806085 0.77 JAK3 (0.68) CTSKCTSS
SCHEMBL8171600 0.77 CCKBR (0.55) CTSK
SCHEMBL16325538 0.77 KLK7 (0.49) CTSKCTSS
SCHEMBL9439085 0.76 CTSK (0.58) CTSKCTSS
SCHEMBL7300194 0.76 CTSK (0.60) CTSKCTSS

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