SCHEMBL31624336

SCHEMBL31624336

CC(C)(C)OC(=O)[C@@H](N)CCC(=O)NCCOCCOCC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 6/20 0.41
▸ KLK7 P49862 2/20 0.41
▸ KLK5 Q9Y337 2/20 0.41
▸ TGM2 P21980 3/20 0.40
▸ TGM6 O95932 1/20 0.40
▸ F13A1 P00488 1/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ SIRT1 Q96EB6 3/20 0.39
▸ SIRT3 Q9NTG7 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PAX8 Q06710 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL31631377 0.90 SIRT2 (0.44) SIRT2KLK7KLK5TGM2TGM6
SCHEMBL31624599 0.89 SIRT2 (0.49) SIRT2KLK7KLK5SIRT1SIRT3
SCHEMBL31624601 0.89 SIRT2 (0.49) SIRT2KLK7KLK5SIRT1SIRT3
SCHEMBL31624525 0.88 TGM2 (0.42) SIRT2KLK7KLK5TGM2TGM6
SCHEMBL31624468 0.88 TLR2 (0.40) SIRT2KLK7KLK5TGM2TGM6
SCHEMBL31624488 0.88 TLR2 (0.40) SIRT2KLK7KLK5TGM2TGM6
SCHEMBL31624416 0.87 SIRT2 (0.42) SIRT2KLK7KLK5TGM2TGM6
SCHEMBL31624450 0.87 SIRT2 (0.42) SIRT2KLK7KLK5TGM2TGM6
SCHEMBL31624510 0.87 SIRT2 (0.42) SIRT2KLK7KLK5TGM2TGM6
SCHEMBL31624482 0.87 TGM2 (0.43) SIRT2KLK7KLK5TGM2TGM6

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
WO-2025128626-A1 HYBRID PEPTIDE COMPOUNDS HAVING A MODIFIED LYSINE RESIDUE CARMOT THERAPEUTICS, INC. (US) 2025-06-19 — — WO disclosed
WO-2025128624-A2 HYBRID PEPTIDE COMPOUNDS HAVING A SUBSTITUTED TRYPTOPHAN RESIDUE OR A TERMINAL SUBSTITUENT CARMOT THERAPEUTICS, INC. (US) 2025-06-19 — — WO disclosed
Send feedback