SCHEMBL25815777

SCHEMBL25815777

CC(C)(C)OC(=O)NCCOCCOc1cc(F)c(C=O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
ITK Q08881 1/20 0.47
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
BCHE P06276 3/20 0.43
CNR2 P34972 3/20 0.43
SCN9A Q15858 1/20 0.42
AAK1 Q2M2I8 2/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
BUB1 O43683 1/20 0.38
PDK2 Q15119 1/20 0.38
SUCNR1 Q9BXA5 2/20 0.38
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL25815595 0.85 EGFR (0.51) EGFRITKADRB2HTR1ABCHE
SCHEMBL25815725 0.84 ADRB2 (0.45) EGFRITKADRB2HTR1ABCHE
SCHEMBL25815655 0.81 BCHE (0.43) EGFRITKADRB2HTR1ABCHE
SCHEMBL25815850 0.81 CA12 (0.47) EGFRITKADRB2HTR1ABCHE
SCHEMBL12518688 0.81 EGFR (0.53) EGFRITKADRB2HTR1ABCHE
SCHEMBL16946787 0.80 SCN9A (0.48) EGFRITKADRB2HTR1ASCN9A
SCHEMBL6276157 0.79 EGFR (0.40) EGFRITKADRB2HTR1ABCHE
SCHEMBL13883179 0.78 BCHE (0.47) EGFRITKADRB2HTR1ABCHE
SCHEMBL13902778 0.78 SCN9A (0.47) ADRB2HTR1ASCN9ACA12CA1
SCHEMBL23318482 0.77 ALDH1A1 (0.49) EGFRITKADRB2HTR1ABCHE

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-2023129506-A1 POTENT AND SELECTIVE SMARCA2 DEGRADING CHIMERIC MOLECULES AS CANCER THERAPEUTICS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-06 WO disclosed