SCHEMBL24968528

SCHEMBL24968528

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.53
KDM5A P29375 1/20 0.53
KDM5B Q9UGL1 1/20 0.53
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SCN9A Q15858 7/20 0.47
SCN5A Q14524 3/20 0.47
RBP4 P02753 1/20 0.43
TTR P02766 1/20 0.43
MAP4K4 O95819 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MRGPRX4 Q96LA9 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
SCHEMBL24968525 0.90 KDM4C (0.53) KDM4CKDM5AKDM5BSCN9ASCN5A
SCHEMBL15968784 0.89 LMNA (0.55) KDM4CKDM5ALMNAMAPK1HTT
SCHEMBL10148081 0.87 MAP4K4 (0.54) KDM4CLMNAMAPK1HTTRAB9A
SCHEMBL30152321 0.86 SCN9A (0.49) KDM4CKDM5AKDM5BSCN9ASCN5A
SCHEMBL24969558 0.86 SCN9A (0.49) KDM4CKDM5AKDM5BSCN9ASCN5A
SCHEMBL24968523 0.81 SCN9A (0.66) SCN9ASCN5A
SCHEMBL24800516 0.80 KDM4C (0.48) KDM4CKDM5AKDM5BSCN9ASCN5A
SCHEMBL24968796 0.79 SCN9A (0.42) KDM4CKDM5AKDM5BSCN9ASCN5A
SCHEMBL662159 0.78 TTR (0.50) KDM4CKDM5ALMNAMAPK1HTT
SCHEMBL20463367 0.77 SLC6A9 (0.53) LMNAMAPK1HTTRAB9APDE4A

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