SCHEMBL7279166

SCHEMBL7279166

COC(=O)c1ccc2oc(C(=O)[C@H](C(C)C)N3CCC[C@H]3C(=O)N(C(=O)c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H](N)C(C)C)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.53
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SCN3A Q9NY46 1/20 0.34
KMT2A Q03164 1/20 0.33
HSPD1 P10809 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN5 P54829 1/20 0.33
HSPE1 P61604 1/20 0.33
FBP1 P09467 1/20 0.32

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
SCHEMBL7287031 0.93 ELANE (0.61) ELANEKMT2A
SCHEMBL7284826 0.91 ELANE (0.43) ELANESCN3A
SCHEMBL7279280 0.88 ELANE (0.61) ELANE
SCHEMBL7279942 0.87 ELANE (0.61) ELANE
SCHEMBL7279198 0.87 ELANE (0.61) ELANE
SCHEMBL7287022 0.86 ELANE (0.39) ELANE
SCHEMBL7376894 0.86 ELANE (0.60) ELANE
SCHEMBL7278937 0.86 ELANE (0.60) ELANE
SCHEMBL7276968 0.85 ELANE (0.46) ELANEKMT2AHSPD1PTPN2PTPN1
SCHEMBL7276547 0.84 ELANE (0.61) 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 3 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 disclosed
US-5164371-A HETEROCYCLIC KETONES ICI AMERICAS INC. (US) 1992-11-17 US disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed