SCHEMBL23289285

SCHEMBL23289285

CCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 2/20 0.42
▸ FOLH1 Q04609 5/20 0.41
▸ NAALAD2 Q9Y3Q0 2/20 0.41
▸ RIMKLA Q8IXN7 1/20 0.41
▸ BMP1 P13497 2/20 0.38
▸ GGH Q92820 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL26173989 0.88 FOLH1 (0.47) FOLH1NAALAD2RIMKLABMP1GGH
SCHEMBL25129090 0.86 FOLH1 (0.40) FOLH1NAALAD2RIMKLABMP1GGH
SCHEMBL25128148 0.84 PSMB5 (0.47) PSMB5FOLH1NAALAD2RIMKLABMP1
SCHEMBL24622679 0.82 FOLH1 (0.35) PSMB5FOLH1NAALAD2RIMKLABMP1
SCHEMBL19681930 0.79 BMP1 (0.39) FOLH1NAALAD2RIMKLABMP1KEAP1
SCHEMBL23863721 0.78 SIRT6 (0.45) PSMB5FOLH1
SCHEMBL23289287 0.78 SIRT6 (0.45) PSMB5FOLH1
SCHEMBL15158367 0.78 PSMB5 (0.45) PSMB5
SCHEMBL12094213 0.78 NOD1 (0.41) FOLH1NOD1PLA2G2C
SCHEMBL25128949 0.77 FOLH1 (0.38) PSMB5FOLH1NAALAD2RIMKLABMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289857-A1 DRUG CONJUGATE OF GLUCOCORTICOID RECEPTOR AGONIST, AND APPLICATION THEREOF IN MEDICINE Shanghai Senhui Medicine Co., Ltd. (CN) 2023-12-13 — — EP disclosed
EP-3884962-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF AbbVie Inc. (US) 2021-09-29 — — EP disclosed
EP-3658192-B1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC (US) 2021-04-28 — — EP disclosed
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