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Sugi Predict / Compounds / SCHEMBL7303022

SCHEMBL7303022

SCHEMBL7303022

CC(=O)Nc1ccc(-c2ccccc2)n(C(C(N)=O)C(C(C)C)C(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1=O.c1cc2cc-2c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.42
▸ CTRC Q99895 1/20 0.34

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
SCHEMBL7301006 0.88 ELANE (0.38) ELANECTRC
SCHEMBL7303020 0.87 ELANE (0.47) ELANECTRC
SCHEMBL7313897 0.85 ELANE (0.48) ELANECTRC
SCHEMBL7307045 0.83 ELANE (0.52) ELANECTRC
SCHEMBL7303844 0.83 ELANE (0.42) ELANE
SCHEMBL7276477 0.78 ELANE (0.60) ELANECTRC
SCHEMBL8651546 0.71 ALDH1A1 (0.38) ELANE
SCHEMBL7276475 0.70 ELANE (0.53) ELANECTRC
SCHEMBL7281282 0.68 ELANE (0.51) ELANECTRC
SCHEMBL9584711 0.68 ELANE (0.57) ELANE

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-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 — — EP disclosed