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Sugi Predict / Compounds / SCHEMBL28626508

SCHEMBL28626508

SCHEMBL28626508

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)c1ccc(C(=O)NCC(=O)O)cc1)C(C)C)B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 15/20 0.47
▸ CTSG P08311 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.46
▸ MALT1 Q9UDY8 1/20 0.43
▸ CMA1 P23946 2/20 0.43
▸ PREP P48147 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
SCHEMBL28626507 1.00 ELANE (0.47) ELANECTSGTAAR1MALT1CMA1
SCHEMBL28626509 1.00 ELANE (0.47) ELANECTSGTAAR1MALT1CMA1
SCHEMBL20511002 0.82 ELANE (0.42) ELANE
SCHEMBL20511009 0.82 ELANE (0.42) ELANE
SCHEMBL20511005 0.82 ELANE (0.42) ELANE
SCHEMBL23969585 0.82 ELANE (0.51) ELANECTSGTAAR1MALT1CMA1
SCHEMBL28866281 0.81 ELANE (0.51) ELANECTSGTAAR1MALT1CMA1
SCHEMBL23969580 0.81 ELANE (0.51) ELANECTSGTAAR1MALT1CMA1
SCHEMBL28866278 0.81 ELANE (0.51) ELANECTSGTAAR1MALT1CMA1
SCHEMBL3935563 0.80 ELANE (0.67) ELANECTSGCMA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372368-B Prodrug of elastase inhibitor and application thereof 苏州爱科百发生物医药技术有限公司 2022-04-12 — — CN disclosed
CN-113372368-A Prodrug of elastase inhibitor and application thereof 苏州爱科百发生物医药技术有限公司 2021-09-10 — — CN disclosed