SCHEMBL8745971

SCHEMBL8745971

CC(C)(C)C(=O)OC(c1cncs1)c1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
CNR2 P34972 1/20 0.33
ACP3 P15309 1/20 0.33
HSD11B1 P28845 1/20 0.32
SLC6A3 Q01959 2/20 0.32
ACACB O00763 1/20 0.32
CTSA P10619 2/20 0.32
NEK2 P51955 1/20 0.31
YTHDC1 Q96MU7 1/20 0.31
RORC P51449 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8745923 0.80 ACP3 (0.37) HDAC4CNR2ACP3HSD11B1HTT
SCHEMBL8745940 0.76 CYP3A4 (0.35) HDAC4CNR2ACP3CTSA
SCHEMBL9028689 0.76 SCN9A (0.37) CNR2
SCHEMBL8745941 0.74 ACP3 (0.37) HDAC4CNR2ACP3HSD11B1SLC6A3
SCHEMBL8745947 0.74 RIPK1 (0.36) CTSASMN1; SMN2
SCHEMBL8745928 0.73 CYP3A4 (0.36) CNR2
SCHEMBL8745925 0.68 MAPT (0.44) ACP3
SCHEMBL25436361 0.68 KDM4E (0.41) CNR2ACP3HSD11B1SMN1; SMN2
SCHEMBL8745938 0.67 CYP24A1 (0.46) SLC6A3
SCHEMBL20306574 0.63 LMNA (0.42) SMN1; SMN2

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-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed