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Sugi Predict / Compounds / SCHEMBL23138267

SCHEMBL23138267

SCHEMBL23138267

C=CC(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)C(=O)NC(C)C(=O)NCCS(=O)(=O)c1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C/C(=C/C)C(=C)C3)c1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.32
▸ CMA1 P23946 1/20 0.31
▸ CALCRL Q16602 1/20 0.31

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
SCHEMBL19708357 0.87 GNG2 (0.42) ELANECMA1CALCRL
SCHEMBL19708507 0.87 GNG2 (0.42) ELANECMA1CALCRL
SCHEMBL19708505 0.80 GNG2 (0.45) ELANECMA1
SCHEMBL26029343 0.80 GNG2 (0.43) ELANECMA1CALCRL
SCHEMBL23138265 0.80 GNG2 (0.44) ELANECMA1CALCRL
SCHEMBL27057213 0.79 GNG2 (0.43) ELANECALCRL
SCHEMBL19708600 0.78 GNG2 (0.44) ELANECMA1CALCRL
SCHEMBL23138253 0.78 GNG2 (0.40) CMA1
SCHEMBL26030408 0.75 GNG2 (0.40) ELANECALCRL
SCHEMBL19708590 0.75 GNG2 (0.34) ELANECALCRL

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-20210088518-A1 DETECTING MICROBIAL INFECTION IN WOUNDS SYNOVO GMBH (DE) 2021-03-25 — — US disclosed
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