SCHEMBL8973709

SCHEMBL8973709

CC(C)(C)OC(=O)C(C)(C)CSc1ccc(OC(=O)C(C)(C)c2ccc(C(C)(C)C(=O)Oc3ccc(SCC(C)(C)C(=O)OC(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.47
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 2/20 0.33
CHRM2 P08172 1/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9597924 0.86 ELANE (0.59) ELANEALDH1A1SMN1; SMN2BCHECHRM2
SCHEMBL7352213 0.82 ELANE (0.54) ELANEALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL8848192 0.82 CA2 (0.38) ELANEALDH1A1SMN1; SMN2CHRM2MEN1
SCHEMBL7874029 0.76 ELANE (0.47) ELANEALDH1A1BCHECHRM2MEN1
SCHEMBL15105740 0.68 ESR1 (0.46) ELANEALDH1A1CHRM2
SCHEMBL12714502 0.68 ELANE (0.50) ELANEALDH1A1BCHECHRM2MEN1
SCHEMBL10098828 0.68 LMNA (0.42) ALDH1A1SMN1; SMN2
SCHEMBL13645085 0.66 ELANE (0.66) ELANESMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL9880583 0.65 ELANE (0.60) ELANEMEN1KMT2A
SCHEMBL28818571 0.65 BRS3 (0.47) ELANEMEN1RAB9AKMT2AL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618899-B1 AROMATIC ESTERS OF PHENYLENEDIALKANOATES AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH INC (US) 1996-03-13 EP disclosed
EP-0618899-A4 AROMATIC ESTERS OF PHENYLENEDIALKANOATES AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE. CORTECH INC (US) 1994-11-02 EP disclosed
EP-0618899-A1 AROMATIC ESTERS OF PHENYLENEDIALKANOATES AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE. CORTECH INC (US) 1994-10-12 EP disclosed
WO-1993011760-A1 AROMATIC ESTERS OF PHENYLENEDIALKANOATES AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1993-06-24 WO disclosed
US-5216022-A Antiischemic agents CORTECH, INC. (US) 1993-06-01 US disclosed