SCHEMBL29064048

SCHEMBL29064048

O=C(Cl)CCCCCC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.64
PTGS2 P35354 7/20 0.64
MGLL Q99685 8/20 0.59
FAAH O00519 5/20 0.59
ALDH1A1 P00352 2/20 0.59
HSP90AA1 P07900 1/20 0.59
TLR9 Q9NR96 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
XBP1 P17861 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
RECQL P46063 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GPR35 Q9HC97 1/20 0.59

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
SCHEMBL473658 0.95 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5549450 0.95 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL16539081 0.87 MGLL (0.60) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL2031808 0.85 PTGS1 (0.58) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL2222522 0.84 PTGS1 (0.89) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL16405264 0.83 PTGS1 (0.63) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL16274103 0.83 MGLL (0.65) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13543586 0.83 MGLL (0.70) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL20621983 0.83 MGLL (0.70) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL23190179 0.81 PTGS1 (0.66) PTGS1PTGS2MGLLFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116694058-A Preparation method of polyaryletherketone 3D printing material containing thermoreversible covalent bond 中国航发北京航空材料研究院 2023-09-05 CN claimed
CN-116694058-A Preparation method of polyaryletherketone 3D printing material containing thermoreversible covalent bond 中国航发北京航空材料研究院 2023-09-05 CN disclosed