SCHEMBL9543316

SCHEMBL9543316

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.50
CXCR3 P49682 8/20 0.46
CTSS P25774 1/20 0.43

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
SCHEMBL9544279 0.89 CTSK (0.52) CTSKCXCR3CTSS
SCHEMBL9544147 0.87 CTSK (0.39) CTSKCXCR3
SCHEMBL9543837 0.83 ELANE (0.47) CXCR3
SCHEMBL9544089 0.82 CTSS (0.48) CTSKCXCR3CTSS
SCHEMBL9544383 0.82 FNTA (0.46) CTSK
SCHEMBL9544378 0.82 FNTA (0.46) CTSK
SCHEMBL9544085 0.82 CTSS (0.48) CTSKCXCR3CTSS
SCHEMBL9544910 0.82 HDAC3 (0.48) CTSKCXCR3CTSS
SCHEMBL9544919 0.82 HDAC3 (0.48) CTSKCXCR3CTSS
SCHEMBL9544239 0.81 SYK (0.48) CXCR3CTSS

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