SCHEMBL24445852

SCHEMBL24445852

CC(=O)Oc1c(F)c(C)c(F)c(O)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.39
CELA1 Q9UNI1 2/20 0.39
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
IMPDH2 P12268 1/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDR P35968 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL24445853 0.86 PREP (0.38) PREPCELA1KDM4EHSD17B10HTT
SCHEMBL24445849 0.83 PREP (0.39) PREPCELA1KDM4EHSD17B10HTT
SCHEMBL24436825 0.83 PREP (0.41) PREPCELA1KDM4EHSD17B10HTT
SCHEMBL20435282 0.83 KDM4E (0.36) PREPCELA1KDM4EHSD17B10HTT
SCHEMBL10261302 0.82 KDM4E (0.38) PREPCELA1KDM4EHSD17B10HTT
SCHEMBL9135689 0.82 PREP (0.44) PREPCELA1KDM4EHSD17B10HTT
SCHEMBL29293830 0.80 KDM4E (0.37) PREPCELA1KDM4EHSD17B10HTT
SCHEMBL12459468 0.77 PREP (0.44) PREPCELA1KDM4EHSD17B10HTT
SCHEMBL14118311 0.77 PREP (0.36) PREPCELA1KDM4EHSD17B10HTT
SCHEMBL29000115 0.77 PREP (0.40) PREPCELA1KDM4EHSD17B10HTT

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-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed