SCHEMBL23838013

SCHEMBL23838013

CCCCOC(=O)C(O)COc1ccc(-c2ccc(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ SUCNR1 Q9BXA5 7/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ PSMB9 P28065 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC7 Q8WUI4 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
SCHEMBL29101054 0.93 TDP1 (0.43) CA1CA2SUCNR1HDAC4HDAC1
SCHEMBL29101055 0.93 TDP1 (0.43) CA1CA2SUCNR1HDAC4HDAC1
SCHEMBL23827436 0.90 SUCNR1 (0.43) CA1CA2SUCNR1HDAC4HDAC1
SCHEMBL23827435 0.90 SUCNR1 (0.43) CA1CA2SUCNR1HDAC4HDAC1
SCHEMBL29101097 0.90 SUCNR1 (0.43) CA1CA2SUCNR1HDAC4HDAC1
SCHEMBL23827389 0.78 PSMB8 (0.41) CA1CA2SUCNR1HDAC4HDAC1
SCHEMBL23827392 0.78 PSMB8 (0.41) CA1CA2SUCNR1HDAC4HDAC1
SCHEMBL22012931 0.77 CA1 (0.48) CA1CA2HDAC4HDAC1TDP1
SCHEMBL22012933 0.77 CA1 (0.48) CA1CA2HDAC4HDAC1TDP1
SCHEMBL23838044 0.76 HDAC4 (0.38) CA1CA2SUCNR1HDAC4HDAC1

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
EP-3882246-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2021-09-22 — — EP disclosed
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