SCHEMBL7286277

SCHEMBL7286277

CC(C)C(C(O)c1nc2ccccc2o1)N1CCC[C@H]1C(=O)NC(=O)[C@@H](N)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.39
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 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
SCHEMBL6860344 1.00 ELANE (0.39) ELANELMNASMN1; SMN2HTTMAPT
SCHEMBL7286221 0.88 KMT2A (0.43) ELANEMAPTMAPK1KMT2AMEN1
SCHEMBL7278964 0.87 KMT2A (0.41) ELANEALDH1A1TSHRKMT2AMEN1
SCHEMBL6860338 0.77 ELANE (0.51) ELANEKMT2AHCRTR1HCRTR2
SCHEMBL7279611 0.77 ELANE (0.34) ELANEKMT2A
SCHEMBL7286678 0.75 PTPN2 (0.35) ELANESMN1; SMN2ALDH1A1KMT2AHCRTR1
SCHEMBL7279276 0.75 ELANE (0.37) ELANESMN1; SMN2ALDH1A1
SCHEMBL7279242 0.75 LMNA (0.33) ELANELMNASMN1; SMN2MAPTALDH1A1
SCHEMBL6588427 0.74 ELANE (0.33) ELANELMNASMN1; SMN2HTTALDH1A1
SCHEMBL7276813 0.73 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 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