SCHEMBL6575119

SCHEMBL6575119

CCOC(C)OCC.Cc1ccccc1/C=C/C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.50
CCND1 P24385 4/20 0.50
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
LMNA P02545 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPK1 P28482 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
GAA P10253 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL629968 0.82 ALDH1A1 (0.60) CDK4CCND1ALDH1A1TSHRCCNB2
SCHEMBL29952166 0.82 ALDH1A1 (0.60) CDK4CCND1ALDH1A1TSHRCCNB2
SCHEMBL689774 0.82 ALDH1A1 (0.60) CDK4CCND1ALDH1A1TSHRCCNB2
SCHEMBL18569921 0.82 ALDH1A1 (0.60) CDK4CCND1ALDH1A1TSHRCCNB2
Cinnamic Aldehyde SCHEMBL3159939 0.80 LMNA (0.60) CDK4CCND1ALDH1A1CCNB2CDK1
Ortho-Phthalaldehyde SCHEMBL2474511 0.77 LMNA (0.52) ALDH1A1TSHRLMNATDP1GAA
O-Xylene SCHEMBL28066372 0.76 LMNA (0.57) TSHRLMNATDP1MAPTL3MBTL1
Cinnamic Aldehyde SCHEMBL5515601 0.75 ALDH1A1 (0.53) CDK4CCND1ALDH1A1CCNB2CDK1
Cinnamic Aldehyde SCHEMBL8740777 0.72 ALDH1A1 (0.50) CDK4CCND1ALDH1A1CCNB2CDK1
SCHEMBL9261863 0.72 LMNA (0.63) ALDH1A1TSHRLMNATRPA1MAPK1

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
WO-2002090481-A1 COMPOSITIONS AND ARTICLES FOR EFFECTIVE DEPOSITION OF PERFUME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO claimed
EP-1383547-A2 AIR FRESHENING COMPOSITIONS, ARTICLES COMPRISING SAME AND METHODS FOR PREPARING SAME THE PROCTER & GAMBLE COMPANY (US) 2004-01-28 EP disclosed
EP-1383858-A1 DRYER-ADDED FABRIC SOFTENING ARTICLES AND METHODS The Procter & Gamble Company (US) 2004-01-28 EP disclosed
WO-2002089862-A2 AIR FRESHENING COMPOSITIONS, ARTICLES COMPRISING SAME AND METHODS FOR PREPARING SAME THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed
WO-2002090480-A1 DRYER-ADDED FABRIC SOFTENING ARTICLES AND METHODS THE PROCTER & GAMBLE COMPANY (US) 2002-11-14 WO disclosed