SCHEMBL22965231

SCHEMBL22965231

CCOC(=O)CCCn1c(COC)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
PTGDR2 Q9Y5Y4 4/20 0.53
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TNF P01375 1/20 0.51
HPGD P15428 1/20 0.50
CTNNB1 P35222 1/20 0.50
FAAH O00519 2/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL22965246 0.87 PTGDR2 (0.54) L3MBTL1PTGDR2KDM4EHSD17B10TNF
SCHEMBL25400141 0.84 KDM4E (0.53) PTGDR2KDM4EHSD17B10TNFHPGD
SCHEMBL30536652 0.84 KDM4E (0.53) PTGDR2KDM4EHSD17B10TNFHPGD
SCHEMBL16421862 0.84 GAA (0.59) PTGDR2LMNAKDM4EHSD17B10TNF
SCHEMBL7745965 0.84 SMN1; SMN2 (0.58) PTGDR2LMNAKDM4EHSD17B10HPGD
SCHEMBL7741979 0.83 FAAH (0.56) PTGDR2LMNAKDM4EHSD17B10HPGD
SCHEMBL22965154 0.81 KDM4E (0.62) PTGDR2KDM4EHSD17B10TNFHPGD
SCHEMBL22965212 0.81 PTGDR2 (0.59) PTGDR2LMNAKDM4EHSD17B10TNF
SCHEMBL22965259 0.80 PTGDR2 (0.63) L3MBTL1PTGDR2LMNAKDM4EHSD17B10
SCHEMBL22965222 0.79 ALDH1A1 (0.54) TSHRPTGDR2LMNAKDM4EHSD17B10

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-2021023796-A1 COMPOSITIONS FOR TRANSFECTING A NUCLEIC ACID MOLECULE INTO A CELL COMPRISING HETEROCYCLIC COMPOUNDS GRAFTED TO A CATIONIC POLYMER, AND THEIR APPLICATIONS POLYPLUS TRANSFECTION (FR) 2021-02-11 WO disclosed