SCHEMBL29546595

SCHEMBL29546595

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](COCCOCCOCC=O)O[C@H]1n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.47
▸ TAS1R1 Q7RTX1 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ACHE P22303 4/20 0.40
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ THRB P10828 1/20 0.38

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
SCHEMBL27174776 0.92 KDM4E (0.49) TAS1R3TAS1R1KDM4EALDH1A1LMNA
SCHEMBL29546254 0.88 TAS1R3 (0.46) TAS1R3TAS1R1KDM4EALDH1A1LMNA
SCHEMBL29546317 0.88 ACHE (0.46) TAS1R3TAS1R1KDM4EALDH1A1LMNA
SCHEMBL30479400 0.87 TAS1R3 (0.46) TAS1R3TAS1R1KDM4EALDH1A1LMNA
SCHEMBL27174723 0.86 KDM4E (0.47) TAS1R3TAS1R1KDM4EALDH1A1LMNA
SCHEMBL24941679 0.85 KDM4E (0.58) TAS1R3TAS1R1KDM4EALDH1A1LMNA
SCHEMBL29546774 0.85 KDM4E (0.58) TAS1R3TAS1R1KDM4EALDH1A1LMNA
SCHEMBL18490261 0.85 KDM4E (0.58) TAS1R3TAS1R1KDM4EALDH1A1LMNA
SCHEMBL27174717 0.85 KDM4E (0.51) TAS1R3TAS1R1KDM4EALDH1A1LMNA
SCHEMBL27174719 0.84 KDM4E (0.50) TAS1R3TAS1R1KDM4EALDH1A1LMNA

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-4232455-A2 NOVEL LIGANDS FOR ASIALOGLYCOPROTEIN RECEPTOR Sanofi (FR) 2023-08-30 — — EP disclosed
CN-116368146-A Novel ligands for asialoglycoprotein receptors 赛诺菲 2023-06-30 — — CN disclosed
WO-2022084331-A2 NOVEL LIGANDS FOR ASIALOGLYCOPROTEIN RECEPTOR SANOFI (FR) 2022-04-28 — — WO disclosed
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