SCHEMBL28501353

SCHEMBL28501353

CC(C)(C)OC(=O)C(CCC(=O)NCCCCN1C(=O)C=CC1=O)NC(=O)CCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.47
▸ PTGS2 P35354 4/20 0.47
▸ AKT1 P31749 1/20 0.41
▸ GLP1R P43220 8/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TYMS P04818 1/20 0.37
▸ GART P22102 1/20 0.37
▸ ATIC P31939 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL28501358 0.88 PTGS1 (0.45) PTGS1PTGS2AKT1GLP1RBCHE
SCHEMBL15096521 0.83 PTGS1 (0.47) PTGS1PTGS2GLP1RHPGDHTT
SCHEMBL15096516 0.82 POLB (0.45) AKT1MEN1POLBKMT2ANPSR1
SCHEMBL31721990 0.81 AKT1 (0.51) PTGS1PTGS2AKT1GLP1RHDAC3
SCHEMBL29551996 0.81 KMT2A (0.44) GLP1RPOLBKMT2A
SCHEMBL17732161 0.80 PTGS1 (0.73) PTGS1PTGS2HPGDHTTSMN1; SMN2
SCHEMBL22308463 0.80 AKT1 (0.59) AKT1BCHEACHEHTTMEN1
SCHEMBL22223503 0.80 GLP1R (0.52) PTGS1PTGS2GLP1RHPGDHTT
SCHEMBL22223484 0.80 PTGS1 (0.40) PTGS1PTGS2AKT1HPGDHTT
SCHEMBL22223483 0.80 PTGS1 (0.51) PTGS1PTGS2GLP1RTYMSGART

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
CN-112142855-A Protein for diabetes treatment, protein conjugate and application thereof 爱德迪安(北京)生物技术有限公司 2020-12-29 — — CN disclosed
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