SCHEMBL23966550

SCHEMBL23966550

CC(=O)OCc1nc2cc(OCC3CC3)c(Br)cc2n1COCC[SH](C)(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.32
PDE4B Q07343 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL23966834 0.89 XDH (0.38) CNR2
SCHEMBL23966548 0.89 DGAT1 (0.34) CNR2PDE4B
SCHEMBL23915573 0.88 SCN9A (0.33) CNR2PDE4B
SCHEMBL23966549 0.85 DGAT1 (0.34) CNR2PDE4B
SCHEMBL23914853 0.77 XDH (0.38)
SCHEMBL23908843 0.76 XDH (0.39)
SCHEMBL23966809 0.76 IKBKE (0.38)
SCHEMBL23914609 0.75 XDH (0.38)
SCHEMBL23914849 0.75 XDH (0.37)
SCHEMBL23966547 0.72 SMN1; SMN2 (0.36) PPARG

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-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed