SCHEMBL22965255

SCHEMBL22965255

CCOC(=O)CCCn1ncc2ccncc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
KMO O15229 3/20 0.43
HSD17B10 Q99714 2/20 0.42
TBXAS1 P24557 4/20 0.41
TNF P01375 5/20 0.41
GAA P10253 1/20 0.41
CTNNB1 P35222 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL22965272 0.85 KMO (0.58) KDM4EKMOHSD17B10TNFGAA
SCHEMBL29328557 0.81 KMO (0.63) KDM4EKMOHSD17B10TBXAS1PDE4B
SCHEMBL8803921 0.77 SLC9A1 (0.40) KMO
SCHEMBL22965161 0.77 TNF (0.45) KDM4EHSD17B10TBXAS1TNFGAA
SCHEMBL22965158 0.77 KDM4E (0.44) KDM4EHSD17B10TBXAS1TNF
SCHEMBL13332357 0.76 KDM4E (0.44) KDM4EKMOHSD17B10TNFGAA
SCHEMBL21471470 0.76 KMO (0.59) KDM4EKMOHSD17B10TBXAS1TNF
SCHEMBL1980738 0.76 TNF (0.43) KDM4EKMOHSD17B10TNFPDE4B
SCHEMBL7836228 0.76 TNF (0.51) TBXAS1TNF
SCHEMBL1398471 0.75 CACNA1H (0.44) KDM4EKMOHSD17B10TNFGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234609-B1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS POLYPLUS TRANSFECTION (FR) 2024-07-17 EP disclosed
EP-4234609-A1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS PolyPlus Transfection (FR) 2023-08-30 EP disclosed
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