SCHEMBL27370892

SCHEMBL27370892

CCCn1ccc(=O)n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 11/20 0.43
MAPK1 P28482 1/20 0.38
PDE4A P27815 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL7595779 0.88 HSD17B13 (0.41) HSD17B13ADORA2ACYP1A2
SCHEMBL24665500 0.85 HSD17B13 (0.44) HSD17B13
SCHEMBL7274815 0.82 PDE4A (0.39) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL5487196 0.79 HSD17B13 (0.47) HSD17B13
SCHEMBL5610519 0.79 HSD17B13 (0.43) HSD17B13
SCHEMBL13947776 0.79 HSD17B13 (0.43) HSD17B13
SCHEMBL9120735 0.79 HSD17B13 (0.40) HSD17B13PDE4AADORA2AADORA2BPDE4B
SCHEMBL2347364 0.77 ADORA2B (0.45) HSD17B13ADORA2B
SCHEMBL18686733 0.77 TYR (0.41) PDE4AADORA2AADORA2BPDE4BPDE4C
SCHEMBL2456869 0.76 ALDH1A1 (0.46) HSD17B13

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-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed