SCHEMBL22868089

SCHEMBL22868089

NC(=O)c1cc(OC2CCOCC2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.58
HSD17B2 P37059 3/20 0.58
SYK P43405 2/20 0.41
KAT2B Q92831 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDE4D Q08499 4/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
TBK1 Q9UHD2 5/20 0.34
SCN8A Q9UQD0 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
SCD O00767 1/20 0.34
IKBKE Q14164 1/20 0.33

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
SCHEMBL24933371 0.82 HSD17B1 (0.44) HSD17B1HSD17B2CYP11B1CYP11B2TBK1
SCHEMBL30359903 0.74 HSD17B2 (1.00) HSD17B1HSD17B2
SCHEMBL22867474 0.74 HSD17B2 (1.00) HSD17B1HSD17B2
SCHEMBL22867475 0.74 HSD17B2 (0.80) HSD17B1HSD17B2
SCHEMBL29582020 0.74 HSD17B2 (0.80) HSD17B1HSD17B2
SCHEMBL22867491 0.73 HSD17B2 (0.82) HSD17B1HSD17B2
SCHEMBL30359778 0.73 HSD17B2 (0.82) HSD17B1HSD17B2
SCHEMBL22868093 0.71 SYK (0.44) HSD17B1HSD17B2SYKKAT2BBAZ2B
SCHEMBL24932946 0.71 XDH (0.42) HSD17B1HSD17B2SCN8A
SCHEMBL24933486 0.70 BRS3 (0.39) HSD17B1HSD17B2

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
EP-3994125-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF Regeneron Pharmaceuticals, Inc. (US) 2022-05-11 EP disclosed
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed