SCHEMBL7078053

SCHEMBL7078053

CCCCCc1cc(O)c([N+](=O)[O-])c(=O)o1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.58
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 7/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL8780178 0.76 ELANE (0.63) ELANEMAPTALOX15HTTSMN1; SMN2
Pseudopyronines B SCHEMBL17867169 0.76 ELANE (0.63) ELANEMAPTALOX15HTTSMN1; SMN2
SCHEMBL2819257 0.76 ELANE (0.63) ELANEMAPTALOX15HTTSMN1; SMN2
SCHEMBL7079565 0.76 ELANE (0.59) ELANEMAPTALOX15ALDH1A1TP53
Hydrochloric Acid SCHEMBL7081099 0.75 ELANE (0.58) ELANEMAPTALOX15ALDH1A1TP53
SCHEMBL8780172 0.75 ELANE (0.62) ELANEMAPTALOX15SMN1; SMN2
SCHEMBL10337743 0.74 ELANE (0.92) ELANEMAPTALOX15ALDH1A1HTT
SCHEMBL10338016 0.74 ELANE (0.97) ELANEMAPTALOX15ALDH1A1HTT
SCHEMBL10337604 0.73 ELANE (1.00) ELANEMAPTALDH1A1HTT
SCHEMBL10338012 0.73 ELANE (1.00) ELANEMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729465-B1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2003-01-22 EP disclosed
US-6005103-A TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS WARNER-LAMBERT COMPANY (US) 1999-12-21 US disclosed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed
EP-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729465-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed