SCHEMBL31080074

SCHEMBL31080074

CC(C)(C)OC(=O)NCCCc1ccc(-c2ccc(OC[C@@H](O)C(=O)O)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 10/20 0.43
▸ CA12 O43570 5/20 0.43
▸ CA1 P00915 5/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CA9 Q16790 5/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ STK17B O94768 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR88 Q9GZN0 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
SCHEMBL18990470 0.92 CA12 (0.43) SUCNR1CA12CA1CA2CA9
SCHEMBL18990469 0.92 CA12 (0.43) SUCNR1CA12CA1CA2CA9
SCHEMBL20566580 0.80 SUCNR1 (0.42) SUCNR1CA12CA1CA2CA9
SCHEMBL20566583 0.80 SUCNR1 (0.42) SUCNR1CA12CA1CA2CA9
SCHEMBL23827436 0.79 SUCNR1 (0.43) SUCNR1CA1CA2NPSR1
SCHEMBL23827435 0.79 SUCNR1 (0.43) SUCNR1CA1CA2NPSR1
SCHEMBL29101097 0.79 SUCNR1 (0.43) SUCNR1CA1CA2NPSR1
SCHEMBL20566735 0.76 SUCNR1 (0.46) SUCNR1CA12CA1CA2CA9
SCHEMBL18990569 0.76 SUCNR1 (0.47) SUCNR1CA12CA1CA2CA9
SCHEMBL20566736 0.76 SUCNR1 (0.46) SUCNR1CA12CA1CA2CA9

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-108368040-B Diaryl monocyclic beta-lactam compounds and methods for their use in the treatment of bacterial infections 默沙东有限责任公司 2024-08-23 — — CN disclosed
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