SCHEMBL22965212

SCHEMBL22965212

CCOC(=O)CCCCn1c(C)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.59
▸ FAAH O00519 4/20 0.58
▸ HTT P42858 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ TNF P01375 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CTNNB1 P35222 1/20 0.51
▸ PKM P14618 1/20 0.50
▸ APAF1 O14727 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
SCHEMBL16421862 0.96 GAA (0.59) PTGDR2FAAHHTTLMNATP53
SCHEMBL22965266 0.91 KDM4E (0.59) PTGDR2HTTLMNATP53KDM4E
SCHEMBL540948 0.87 FAAH (0.57) PTGDR2FAAHHTTLMNATP53
SCHEMBL9430801 0.85 PTGDR2 (0.55) PTGDR2FAAHHTTLMNAKDM4E
SCHEMBL3003332 0.85 PTGDR2 (0.55) PTGDR2FAAHHTTTP53KDM4E
SCHEMBL7745965 0.85 SMN1; SMN2 (0.58) PTGDR2FAAHLMNATP53KDM4E
SCHEMBL7741979 0.84 FAAH (0.56) PTGDR2FAAHHTTLMNATP53
SCHEMBL22965215 0.84 LMNA (0.60) HTTLMNATP53KDM4ETNF
SCHEMBL8268109 0.83 PTGDR2 (0.53) PTGDR2FAAHHTTLMNATP53
SCHEMBL540852 0.83 LMNA (0.59) FAAHHTTLMNATP53KDM4E

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
WO-2023161409-A1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS POLYPLUS TRANSFECTION (FR) 2023-08-31 — — WO 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
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