Citral

Citral

SCHEMBL779853

CC(C)=CCC/C(C)=C/C=O.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
TRPV1 Q8NER1 2/20 0.57
CNR2 P34972 1/20 0.49
PPARG P37231 3/20 0.46
PPARA Q07869 2/20 0.46
PPARD Q03181 1/20 0.46
DNMT1 P26358 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
MAPT P10636 2/20 0.43
ICMT O60725 1/20 0.43
GMNN O75496 1/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CDK2 P24941 1/20 0.43

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 SCHEMBL8023626 0.93 ALDH1A1 (0.60) ALDH1A1TRPV1CNR2PPARGPPARA
Citral SCHEMBL781354 0.88 ALDH1A1 (0.51) ALDH1A1TRPV1CNR2PPARGPPARA
Citral SCHEMBL28728902 0.88 ALDH1A1 (0.62) ALDH1A1TRPV1CNR2PPARGPPARA
Citral SCHEMBL27748298 0.86 ALDH1A1 (0.68) ALDH1A1TRPV1PPARGPPARAMAPT
Citral SCHEMBL28163112 0.86 ALDH1A1 (0.68) ALDH1A1TRPV1PPARGPPARAMAPT
Citral SCHEMBL870746 0.84 ALDH1A1 (0.66) ALDH1A1TRPV1PPARGPPARAMAPT
Citral SCHEMBL20856837 0.84 ALDH1A1 (0.66) ALDH1A1TRPV1PPARGPPARAMAPT
Citral SCHEMBL27853075 0.84 ALDH1A1 (0.70) ALDH1A1TRPV1MAPTICMTGMNN
SCHEMBL18849894 0.83 ALDH1A1 (0.57) ALDH1A1TRPV1MAPTRECQLKDM4E
Citral SCHEMBL28204466 0.83 ALDH1A1 (0.95) ALDH1A1MAPTLMNAPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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