SCHEMBL5435285

SCHEMBL5435285

CCC(=O)C=C(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
FFAR3 O14843 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GRIK1 P39086 3/20 0.33
GRIK2 Q13002 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
ABAT P80404 1/20 0.30

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
SCHEMBL13073213 0.81 TSHR (0.41) TSHRALDH1A1FFAR3KDM4ETDP1
SCHEMBL28225227 0.81 ALDH1A1 (0.38) TSHRALDH1A1FFAR3KDM4ETDP1
SCHEMBL106219 0.81 TSHR (0.56) TSHRALDH1A1FFAR3KDM4EGRIK1
SCHEMBL141679 0.81 TSHR (0.56) TSHRALDH1A1FFAR3KDM4EGRIK1
SCHEMBL106220 0.81 TSHR (0.56) TSHRALDH1A1FFAR3KDM4EGRIK1
Hydrochloric Acid SCHEMBL10932828 0.79 KDM4E (0.54) TSHRALDH1A1FFAR3KDM4EGRIK1
SCHEMBL20109820 0.79 ALDH1A1 (0.38) TSHRALDH1A1FFAR3KDM4EGRIK1
SCHEMBL28559503 0.79 KDM4E (0.54) TSHRALDH1A1FFAR3KDM4EGRIK1
SCHEMBL1977289 0.79 ALDH1A1 (0.38) TSHRALDH1A1FFAR3KDM4EGRIK1
Lithium SCHEMBL31389383 0.79 KDM4E (0.54) TSHRALDH1A1FFAR3KDM4EGRIK1

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-20070087098-A1 Reduction of oil and off-flavors in citrus juice by direct steam heating and flash cooling TROPICANA PRODUCTS, INC. (US) 2007-04-19 US disclosed
EP-1610629-A1 REDUCTION OF OIL AND OFF-FLAVORS IN CITRUS JUICE BY DIRECT STEAM HEATING AND FLASH COOLING TROPICANA PRODUCTS, INC. (US) 2006-01-04 EP disclosed
WO-2004077968-A1 REDUCTION OF OIL AND OFF-FLAVORS IN CITRUS JUICE BY DIRECT STEAM HEATING AND FLASH COOLING TROPICANA PRODUCTS, INC. (US) 2004-09-16 WO disclosed
US-20040170731-A1 Reduction of oil and off-flavors in citrus juice by direct steam heating and flash cooling TROPICANA PRODUCTS, INC. 2004-09-02 US disclosed