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SCHEMBL31298671

SCHEMBL31298671

NCCCCC(NC(=O)CCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 8/20 0.48
▸ CA9 Q16790 1/20 0.45
▸ TLR2 O60603 2/20 0.44
▸ CPB1 P15086 1/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ GLP1R P43220 4/20 0.42
▸ CALCRL Q16602 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MDM2 Q00987 1/20 0.41

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
SCHEMBL20530026 0.94 ALB (0.53) ALBCA9TLR2KMT2AMDM2
SCHEMBL31298693 0.92 ALB (0.48) ALBCA9TLR2GLP1R
SCHEMBL20530037 0.90 ALB (0.47) ALBCA9TLR2GLP1RMDM2
SCHEMBL31298675 0.90 ALB (0.47) ALBCA9TLR2GLP1RMDM2
SCHEMBL31298701 0.90 CPB1 (0.45) ALBTLR2CPB1CPB2GLP1R
SCHEMBL30895420 0.86 KMT2A (0.52) TLR2GLP1RKMT2AMDM2
SCHEMBL30895594 0.86 TLR2 (0.50) TLR2CPB1CPB2KMT2AMDM2
SCHEMBL29521884 0.85 TLR2 (0.41) ALBTLR2MDM2
SCHEMBL29521888 0.85 ALB (0.44) ALBCA9TLR2KMT2AMDM2
SCHEMBL31298676 0.85 TLR2 (0.44) TLR2CPB1CPB2CALCRLKMT2A

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
WO-2025029608-A1 FIBROBLAST ACTIVATION PROTEIN-TARGETED COMPOSITIONS AND METHODS OF USE THEREOF RATIO THERAPEUTICS, INC. (US) 2025-02-06 — — WO disclosed
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