SCHEMBL27240989

SCHEMBL27240989

COc1ccc(C(OC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)O)[C@@H](C)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.41
▸ SLC6A5 Q9Y345 2/20 0.41
▸ GPR139 Q6DWJ6 3/20 0.39
▸ SLC6A1 P30531 2/20 0.39
▸ SLC6A11 P48066 1/20 0.39
▸ KIF11 P52732 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL27240993 1.00 SLC6A9 (0.41) SLC6A9SLC6A5GPR139SLC6A1SLC6A11
SCHEMBL29157256 0.89 KIF11 (0.38) SLC6A9SLC6A5GPR139SLC6A1SLC6A11
SCHEMBL29157253 0.89 KIF11 (0.38) SLC6A9SLC6A5GPR139SLC6A1SLC6A11
SCHEMBL30924966 0.83 MDM2 (0.40) SLC6A9SLC6A5KMT2A
SCHEMBL20371134 0.82 GAA (0.45) KMT2AALDH1A1
SCHEMBL20371135 0.81 HDAC6 (0.43) KMT2AALDH1A1
SCHEMBL3839548 0.80 GAA (0.43) KIF11KMT2AALDH1A1
SCHEMBL5964225 0.80 GAA (0.43) KIF11KMT2AALDH1A1
SCHEMBL20371099 0.79 KIF11 (0.43) SLC6A1SLC6A11KIF11MEN1KMT2A
SCHEMBL18349843 0.78 HDAC1 (0.45) KMT2AALDH1A1

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
US-20240191276-A1 METHODS FOR LIGATION OF (POLY)PEPTIDES AND OLIGONUCLEOTIDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-06-13 — — US disclosed
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