SCHEMBL31626331

SCHEMBL31626331

NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.48
TLR2 O60603 1/20 0.42
SIRT5 Q9NXA8 3/20 0.41
NOD1 Q9Y239 3/20 0.41
ROCK2 O75116 3/20 0.41
PRKACA P17612 1/20 0.41
AKT3 Q9Y243 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
FNTA P49354 2/20 0.39
FNTB P49356 2/20 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
SCHEMBL30440181 1.00 ALB (0.48) ALBTLR2SIRT5NOD1ROCK2
Formic Acid SCHEMBL30439638 0.94 ALB (0.45) ALBTLR2SIRT5NOD1ROCK2
SCHEMBL16377384 0.92 TLR2 (0.52) ALBTLR2SIRT5NOD1ROCK2
SCHEMBL17919599 0.90 ALB (0.48) ALBTLR2SIRT5NOD1ROCK2
SCHEMBL30440274 0.88 TLR2 (0.54) ALBTLR2SIRT5NOD1ROCK2
SCHEMBL12417661 0.87 TLR2 (0.58) TLR2SIRT5ROCK2PRKACAAKT3
SCHEMBL13772127 0.86 NOD1 (0.51) ALBNOD1HDAC3HDAC4HDAC1
SCHEMBL929302 0.85 NOD1 (0.43) ALBTLR2NOD1ROCK2PRKACA
SCHEMBL18104611 0.84 HPGDS (0.44) TLR2NOD1ROCK2PRKACAAKT3
SCHEMBL24461841 0.82 ALB (0.49) ALBTLR2SIRT5NOD1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355369-B1 CONJUGATE OF SAPONIN, OLIGONUCLEOTIDE AND GALNAC SAPREME TECH BV (NL) 2025-06-18 EP claimed