SCHEMBL6561035

SCHEMBL6561035

CC(=O)C1C[C@@H](C(=O)O)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.46
APLNR P35414 1/20 0.36
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
SLC6A4 P31645 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL963070 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL965467 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6561197 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL1348823 1.00 CD81 (0.46) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6121809 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL6382497 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL12914998 0.90 CD81 (0.39) CD81MEN1KMT2A
SCHEMBL15352277 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL21800873 0.90 APLNR (0.42) CD81APLNRSLC1A2SLC1A1SLC6A4
SCHEMBL10046563 0.77 CD81 (0.37) CD81APLNRSLC1A2SLC1A1SLC6A4

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
EP-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP disclosed