SCHEMBL24969558

SCHEMBL24969558

COC(=O)c1ccc(OCC2CCC(F)(F)CC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.49
SCN5A Q14524 3/20 0.49
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41

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
SCHEMBL30152321 1.00 SCN9A (0.49) SCN9ASCN5APDE4APDE4BPDE4C
SCHEMBL1861841 0.90 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL24968528 0.86 KDM4C (0.53) SCN9ASCN5APDE4APDE4BPDE4C
SCHEMBL24968523 0.80 SCN9A (0.66) SCN9ASCN5A
SCHEMBL20189249 0.80 PDE4B (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL28033753 0.78 PDE4B (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL20463367 0.77 SLC6A9 (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL24968525 0.77 KDM4C (0.53) SCN9ASCN5APDE4APDE4BPDE4C
SCHEMBL2090601 0.76 PDE4B (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL4278555 0.76 PDE4B (0.63) PDE4APDE4BPDE4CPDE4D

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed