SCHEMBL31553373

SCHEMBL31553373

COC(=O)c1cccc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1F

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.60
GRM1 Q13255 11/20 0.52
GRM5 P41594 10/20 0.52
NAMPT P43490 1/20 0.48
HTR6 P50406 1/20 0.48
SCN9A Q15858 1/20 0.46
JAK1 P23458 1/20 0.45
CNR1 P21554 1/20 0.44
EED O75530 1/20 0.44
RBBP4 Q09028 1/20 0.44
SUZ12 Q15022 1/20 0.44
EZH2 Q15910 1/20 0.44

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
SCHEMBL30844005 0.89 PDK4 (0.62) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL30844007 0.89 PDK4 (0.62) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL30736543 0.89 PDK4 (0.64) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL8075949 0.89 PDK4 (0.64) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL19284668 0.88 PDK4 (0.61) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL18739607 0.85 PDK4 (0.54) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL12965676 0.83 GRM1 (0.52) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL19297080 0.82 PDK4 (0.58) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL14992619 0.82 PDK4 (0.61) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL27241037 0.81 PDK4 (0.51) PDK4GRM1GRM5NAMPTHTR6

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
CN-119816495-A 1,3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitors and uses thereof 株式会社钟根堂 2025-04-11 CN disclosed