SCHEMBL31200569

SCHEMBL31200569

CCCCCCCCC(CCN1C(=O)C=CC1=O)[Si](OCC)(OCC)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.53
PTGS1 P23219 7/20 0.53
PTGS2 P35354 7/20 0.53
FAAH O00519 5/20 0.53
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSP90AA1 P07900 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL28518503 0.78 OPRM1 (0.41) LMNA
SCHEMBL27196327 0.78 OPRM1 (0.41) LMNA
SCHEMBL4338991 0.78 OPRM1 (0.41) LMNA
SCHEMBL4814544 0.78 OPRM1 (0.41) LMNA
SCHEMBL1616000 0.78 OPRM1 (0.41) LMNA
SCHEMBL31129088 0.77 DNM1 (0.41) LMNA
Fluoride SCHEMBL28234875 0.77 OPRM1 (0.39) LMNA
SCHEMBL31200488 0.76 MGLL (0.41) MGLLPTGS1PTGS2FAAHLMNA
SCHEMBL28348213 0.75 MGLL (0.41) MGLLPTGS1PTGS2FAAHLMNA
SCHEMBL634042 0.72 MGLL (0.79) MGLLPTGS1PTGS2FAAHLMNA

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-119081257-A Lignin reversible crosslinked PE plastic and preparation method and application thereof 广东工业大学 2024-12-06 CN claimed
CN-119081257-A Lignin reversible crosslinked PE plastic and preparation method and application thereof 广东工业大学 2024-12-06 CN disclosed