SCHEMBL22867902

SCHEMBL22867902

O=C(NC(c1ccccc1)c1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)[nH]c1=O

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 20/20 0.70
HSD17B1 P14061 4/20 0.70
HSD17B4 P51659 3/20 0.70

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
SCHEMBL30359682 1.00 HSD17B2 (0.70) HSD17B2HSD17B1HSD17B4
SCHEMBL22867938 0.88 HSD17B2 (0.72) HSD17B2HSD17B1HSD17B4
SCHEMBL22867272 0.86 HSD17B2 (0.73) HSD17B2HSD17B1HSD17B4
SCHEMBL22867220 0.86 HSD17B2 (0.73) HSD17B2HSD17B1HSD17B4
SCHEMBL22867347 0.85 HSD17B2 (0.88) HSD17B2HSD17B1HSD17B4
SCHEMBL30359818 0.84 HSD17B2 (0.77) HSD17B2HSD17B1HSD17B4
SCHEMBL22867547 0.84 HSD17B2 (0.77) HSD17B2HSD17B1HSD17B4
SCHEMBL30359606 0.84 HSD17B2 (0.77) HSD17B2HSD17B1HSD17B4
SCHEMBL22867266 0.84 HSD17B2 (0.77) HSD17B2HSD17B1HSD17B4
SCHEMBL30359590 0.82 HSD17B2 (1.00) HSD17B2HSD17B1HSD17B4

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-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed