SCHEMBL29157256

SCHEMBL29157256

COc1ccc(C(OCC(NC(=O)CNC(=O)CNC(=O)COC(N)=O)C(C)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ GPR139 Q6DWJ6 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SLC6A1 P30531 2/20 0.35
▸ SLC6A11 P48066 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CTDSP1 Q9GZU7 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
SCHEMBL29157253 1.00 KIF11 (0.38) KIF11SLC6A9SLC6A5HTTGPR139
SCHEMBL27240993 0.89 SLC6A9 (0.41) KIF11SLC6A9SLC6A5GPR139SLC6A1
SCHEMBL27240989 0.89 SLC6A9 (0.41) KIF11SLC6A9SLC6A5GPR139SLC6A1
SCHEMBL30924966 0.81 MDM2 (0.40) SLC6A9SLC6A5TP53
SCHEMBL3839548 0.77 GAA (0.43) KIF11ALDH1A1
SCHEMBL5964225 0.77 GAA (0.43) KIF11ALDH1A1
SCHEMBL20371134 0.77 GAA (0.45) ALDH1A1LMNA
SCHEMBL20371099 0.77 KIF11 (0.43) KIF11HTTSLC6A1SLC6A11LMNA
SCHEMBL20371135 0.76 HDAC6 (0.43) ALDH1A1
SCHEMBL29142564 0.75 CYP1A2 (0.53) KIF11SLC6A1SLC6A11LMNA

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-117545850-A Method for ligating polypeptide and oligonucleotide 南洋理工大学 2024-02-09 — — CN disclosed
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