SCHEMBL357725

SCHEMBL357725

C=CCc1ccc(OCCCCC)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.70
ALDH1A1 P00352 6/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
PPARG P37231 1/20 0.69
PPARD Q03181 1/20 0.69
MAPT P10636 4/20 0.64
TDP1 Q9NUW8 2/20 0.64
KDM4E B2RXH2 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 3/20 0.62
GAA P10253 2/20 0.62
HTT P42858 1/20 0.62
NPC1 O15118 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CNR2 P34972 1/20 0.59
RAB9A P51151 2/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57

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
Hydrochloric Acid SCHEMBL29175090 0.99 PPARA (0.68) PPARAALDH1A1MEN1KMT2APPARG
SCHEMBL11837062 0.99 PPARA (0.68) PPARAALDH1A1MEN1KMT2APPARG
SCHEMBL573784 0.99 PPARA (0.68) PPARAALDH1A1MEN1KMT2APPARG
SCHEMBL20723695 0.99 PPARA (0.68) PPARAALDH1A1MEN1KMT2APPARG
SCHEMBL20739715 0.99 PPARA (0.68) PPARAALDH1A1MEN1KMT2APPARG
SCHEMBL20723736 0.99 PPARA (0.68) PPARAALDH1A1MEN1KMT2APPARG
SCHEMBL20739714 0.99 PPARA (0.68) PPARAALDH1A1MEN1KMT2APPARG
SCHEMBL20723798 0.99 PPARA (0.68) PPARAALDH1A1MEN1KMT2APPARG
SCHEMBL20739716 0.99 PPARA (0.68) PPARAALDH1A1MEN1KMT2APPARG
N-Butyleugenol SCHEMBL18035642 0.95 ALDH1A1 (0.71) PPARAALDH1A1MEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4391997-A1 ORAL CARE COMPOSITIONS AND METHODS FOR THE SAME Colgate-Palmolive Company (US) 2024-07-03 EP claimed
CN-116421484-A Oral care compositions and methods therefor 高露洁-棕榄公司 2023-07-14 CN claimed
WO-2023132946-A1 ORAL CARE COMPOSITIONS AND METHODS FOR THE SAME COLGATE-PALMOLIVE COMPANY (US) 2023-07-13 WO claimed
EP-4391997-A1 ORAL CARE COMPOSITIONS AND METHODS FOR THE SAME Colgate-Palmolive Company (US) 2024-07-03 EP disclosed
CN-116421484-A Oral care compositions and methods therefor 高露洁-棕榄公司 2023-07-14 CN disclosed
WO-2023132946-A1 ORAL CARE COMPOSITIONS AND METHODS FOR THE SAME COLGATE-PALMOLIVE COMPANY (US) 2023-07-13 WO disclosed
WO-2019030643-A1 COMPOSITIONS OF EUGENOL DERIVATIVES FOR TREATMENT OF VISCERAL LEISHMANIASIS FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) 2019-02-14 WO disclosed
EP-2595642-A2 COMPOSITIONS COMPRISING DERIVATIVES OF ESSENTIAL OIL COMPOUNDS AND USE IN PERSONAL CARE PRODUCTS The Procter and Gamble Company (US) 2013-05-29 EP disclosed
WO-2012012385-A2 COMPOSITIONS COMPRISING DERIVATIVES OF ESSENTIAL OIL COMPOUNDS AND USE IN PERSONAL CARE PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2012-01-26 WO disclosed
US-20120014883-A1 Compositions Comprising Derivatives Of Essential Oil Compounds And Use In Personal Care Products THE PROCTER & GAMBLE COMPANY 2012-01-19 US disclosed