SCHEMBL22965191

SCHEMBL22965191

CCOC(=O)CCCCn1c(CN(C)C(=O)OC(C)(C)C)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
FAAH O00519 2/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL22965254 0.88 LMNA (0.48) RECQLSMN1; SMN2POLBL3MBTL1TP53
SCHEMBL22965267 0.84 FAAH (0.40) FAAHRECQLSMN1; SMN2GAA
SCHEMBL7745965 0.80 SMN1; SMN2 (0.58) PTGDR2FAAHRECQLSMN1; SMN2POLB
SCHEMBL7741979 0.79 FAAH (0.56) PTGDR2FAAHRECQLSMN1; SMN2POLB
SCHEMBL7522351 0.78 ALDH1A1 (0.58) RECQLSMN1; SMN2TP53LMNAMAPT
SCHEMBL540973 0.77 TP53 (0.59) RECQLSMN1; SMN2POLBL3MBTL1TP53
SCHEMBL22965212 0.77 PTGDR2 (0.59) PTGDR2FAAHTP53KDM4EHSD17B10
SCHEMBL22965246 0.76 PTGDR2 (0.54) PTGDR2FAAHRECQLSMN1; SMN2POLB
SCHEMBL3008241 0.76 MAPT (0.54) PTGDR2FAAHRECQLSMN1; SMN2POLB
SCHEMBL22965231 0.75 TSHR (0.59) PTGDR2FAAHRECQLSMN1; SMN2L3MBTL1

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