SCHEMBL29546557

SCHEMBL29546557

CC(=O)OC[C@@]1(COCCOCCOCC=O)O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ACHE P22303 2/20 0.32
▸ HINT1 P49773 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL29546511 0.93 KDM4E (0.43) KDM4EMEN1KMT2ATSHRTAS1R3
SCHEMBL27174759 0.91 MEN1 (0.41) KDM4EMEN1KMT2ATSHRTAS1R3
SCHEMBL29546506 0.89 MEN1 (0.40) KDM4EMEN1KMT2ATSHRTAS1R3
SCHEMBL2157716 0.83 KDM4E (0.41) KDM4EMEN1KMT2ATSHRTAS1R3
SCHEMBL29546595 0.81 TAS1R3 (0.47) KDM4EMEN1KMT2ATSHRTAS1R3
SCHEMBL29546748 0.81 KDM4E (0.38) KDM4EMEN1KMT2ATSHRTAS1R3
SCHEMBL17000749 0.77 KDM4E (0.42) KDM4EMEN1KMT2ATSHRTAS1R3
SCHEMBL25401406 0.76 KDM4E (0.41) KDM4EMEN1KMT2ATSHRTAS1R3
SCHEMBL25401401 0.76 KDM4E (0.41) KDM4EMEN1KMT2ATSHRTAS1R3
SCHEMBL17641433 0.76 KDM4E (0.41) KDM4EMEN1KMT2ATSHRTAS1R3

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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