Sugi Predict

Sugi Predict / Compounds / SCHEMBL7276547

SCHEMBL7276547

SCHEMBL7276547

CC(C)C(C(=O)c1nc2cc(CO)ccc2o1)N1CCC[C@H]1C(=O)N(C(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 17/20 0.61
▸ S1PR1 P21453 2/20 0.33

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
SCHEMBL7376894 0.92 ELANE (0.60) ELANE
SCHEMBL7278937 0.92 ELANE (0.60) ELANE
SCHEMBL7279942 0.92 ELANE (0.61) ELANES1PR1
SCHEMBL7287031 0.91 ELANE (0.61) ELANE
SCHEMBL7279198 0.91 ELANE (0.61) ELANE
SCHEMBL7287053 0.90 ELANE (0.51) ELANE
SCHEMBL7279280 0.87 ELANE (0.61) ELANE
SCHEMBL7287180 0.85 ELANE (0.44) ELANE
SCHEMBL7279166 0.84 ELANE (0.53) ELANE
SCHEMBL7284826 0.83 ELANE (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 — — EP claimed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 — — EP claimed
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 — — EP disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 — — US disclosed