SCHEMBL29044909

SCHEMBL29044909

O=C(CCC(=O)CCN1C(=O)C=CC1=O)CCC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.54
FAAH O00519 5/20 0.54
PTGS1 P23219 8/20 0.53
PTGS2 P35354 8/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 2/20 0.52
HSP90AA1 P07900 1/20 0.52
TLR9 Q9NR96 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
XBP1 P17861 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GPR35 Q9HC97 1/20 0.52

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
SCHEMBL16405262 1.00 MGLL (0.54) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL31038302 0.90 PTGS1 (0.46) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL17570363 0.89 PTGS1 (0.48) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL16405264 0.89 PTGS1 (0.63) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL19546603 0.87 MGLL (0.52) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL6727208 0.86 PTGS1 (0.46) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL4761432 0.85 ALDH1A1 (0.50) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL20169556 0.84 MGLL (0.52) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL6727205 0.81 PTGS1 (0.42) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL22353278 0.81 PTGS1 (0.65) MGLLFAAHPTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116262820-A Preparation method and application of reversibly crosslinked furan dicarboxylic acid polyester 浙江恒逸石化研究院有限公司 2023-06-16 CN claimed
CN-118146477-A Thermoplastic polyurethane elastomer composition and preparation method and application thereof 万华化学集团股份有限公司 2024-06-07 CN disclosed
CN-116262820-B Preparation method and application of reversibly crosslinked furan dicarboxylic acid polyester 浙江恒逸石化研究院有限公司 2024-06-07 CN disclosed
CN-116554756-B High-performance special coating and preparation method thereof 上海交通大学 2024-03-22 CN disclosed
CN-116554756-A High-performance special coating and preparation method thereof 上海交通大学 2023-08-08 CN disclosed
CN-116262820-A Preparation method and application of reversibly crosslinked furan dicarboxylic acid polyester 浙江恒逸石化研究院有限公司 2023-06-16 CN disclosed