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Sugi Predict / Compounds / SCHEMBL6743718

SCHEMBL6743718

SCHEMBL6743718

CC(C)C(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)C(F)(F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.48
▸ CMA1 P23946 13/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ CTSG P08311 1/20 0.39

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
SCHEMBL24441116 0.84 CTSL (0.43) ELANECMA1HDAC8
SCHEMBL7337411 0.83 ELANE (0.62) ELANECMA1CTSG
SCHEMBL6742331 0.82 DPP4 (0.45) ELANECTSG
SCHEMBL6741915 0.82 ATM (0.48) ELANECMA1HDAC8
SCHEMBL25348299 0.82 ATM (0.48) ELANECMA1HDAC8
SCHEMBL3047503 0.81 CTSL (0.44) ELANECMA1HDAC8
SCHEMBL4448932 0.81 CTSL (0.44) ELANECMA1HDAC8
SCHEMBL3047502 0.81 CTSL (0.44) ELANECMA1HDAC8
SCHEMBL4448935 0.81 CTSL (0.44) ELANECMA1HDAC8
SCHEMBL6738003 0.80 CMA1 (0.52) ELANECMA1CTSG

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
US-6693072-B2 Elastase inhibitors AVENTIS PHARMACEUTICALS INC. 2004-02-17 — — US disclosed
WO-1995033763-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1995-12-14 — — WO disclosed