SCHEMBL23838035

SCHEMBL23838035

CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ DGAT1 O75907 1/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL22013869 1.00 CA1 (0.44) CA1CA2SIRT5HDAC4HDAC1
SCHEMBL22012933 0.82 CA1 (0.48) CA1CA2SIRT5HDAC4HDAC1
SCHEMBL22012931 0.82 CA1 (0.48) CA1CA2SIRT5HDAC4HDAC1
SCHEMBL29967445 0.79 DGAT1 (0.50) CA1CA2AAK1USP30PRMT5
SCHEMBL19195067 0.79 DGAT1 (0.50) CA1CA2AAK1USP30PRMT5
SCHEMBL860377 0.79 DGAT1 (0.53) CA1CA2HDAC1AAK1USP30
SCHEMBL24811141 0.77 USP30 (0.56) CA1CA2AAK1USP30PRMT5
SCHEMBL16947773 0.75 DGAT1 (0.50) CA1CA2AAK1USP30PRMT5
SCHEMBL29050482 0.75 USP30 (0.47) AAK1USP30PRMT5WDR77DGAT1
SCHEMBL30231262 0.75 USP30 (0.47) AAK1USP30PRMT5WDR77DGAT1

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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