Citral

Citral

SCHEMBL781377

C=C.CC(C)=CCC/C(C)=C/C=O

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.91
SQLE Q14534 2/20 0.55
KMT2A Q03164 3/20 0.54
ALOX15 P16050 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.48
UGT1A1 P22309 1/20 0.48
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44

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
Citral SCHEMBL3882360 1.00 ALDH1A1 (0.91) ALDH1A1SQLEKMT2AALOX15KDM4E
Citral SCHEMBL1865532 0.96 ALDH1A1 (1.00) ALDH1A1SQLEKMT2AALOX15KDM4E
Citral SCHEMBL2869016 0.96 ALDH1A1 (1.00) ALDH1A1SQLEKMT2AALOX15KDM4E
Citral SCHEMBL14977211 0.96 ALDH1A1 (1.00) ALDH1A1SQLEKMT2AALOX15KDM4E
Citral SCHEMBL19357313 0.96 ALDH1A1 (1.00) ALDH1A1SQLEKMT2AALOX15KDM4E
Citral SCHEMBL23074 0.96 ALDH1A1 (1.00) ALDH1A1SQLEKMT2AALOX15KDM4E
Citral SCHEMBL3643082 0.96 ALDH1A1 (1.00) ALDH1A1SQLEKMT2AALOX15KDM4E
Citral SCHEMBL21491 0.96 ALDH1A1 (1.00) ALDH1A1SQLEKMT2AALOX15KDM4E
Citral SCHEMBL3632554 0.96 ALDH1A1 (1.00) ALDH1A1SQLEKMT2AALOX15KDM4E
Citral SCHEMBL23073 0.96 ALDH1A1 (1.00) ALDH1A1SQLEKMT2AALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636305-A1 OXYGEN BARRIER FORMULATIONS Graham Packaging PET Technologies Inc. (US) 2006-03-22 EP claimed
WO-2004106426-A1 OXYGEN BARRIER FORMULATIONS CONTINENTAL PET TECHNOLOGIES, INC. (US) 2004-12-09 WO claimed
US-8877853-B2 Delamination-resistant multilayer container preform, article and method with oxygen barrier formulations GRAHAM PACKAGING COMPANY, LP (US) 2014-11-04 US disclosed
US-20120071600-A1 DELAMINATION-RESISTANT MULTILAYER CONTAINER PREFORM, ARTICLE AND METHOD WITH OXYGEN BARRIER FORMULATIONS GRAHAM PACKAGING COMPANY, LP (US) 2012-03-22 US disclosed
US-8075966-B2 Delamination-resistant multilayer container, preform, article and method with oxygen barrier formulations GRAHAM PACKAGING COMPANY, LTD. (US) 2011-12-13 US disclosed
EP-1636305-B1 OXYGEN BARRIER FORMULATIONS GRAHAM PACKAGING PET TECH (US) 2009-01-14 EP disclosed
EP-1636305-A1 OXYGEN BARRIER FORMULATIONS Graham Packaging PET Technologies Inc. (US) 2006-03-22 EP disclosed
US-20060019045-A1 Delamination-resistant multilayer container, preform, article and method with oxygen barrier formulations GRAHAM PACKAGING PLASTIC PRODUCTS LLC 2006-01-26 US disclosed
WO-2004106426-A1 OXYGEN BARRIER FORMULATIONS CONTINENTAL PET TECHNOLOGIES, INC. (US) 2004-12-09 WO disclosed
EP-0983037-A4 ANTIFUNGAL NAIL LACQUER AND METHOD USING SAME MACROCHEM CORP (US) 2000-04-26 EP disclosed
EP-0983037-A1 ANTIFUNGAL NAIL LACQUER AND METHOD USING SAME MacroChem Corporation (US) 2000-03-08 EP disclosed
WO-1999039680-A1 ANTIFUNGAL NAIL LACQUER AND METHOD USING SAME MACROCHEM CORPORATION (US) 1999-08-12 WO disclosed