Allyl Hexanoate

Allyl Hexanoate

SCHEMBL7635388

C=CCOC(=O)CCCCC.CCCCCOC(C)=O

nearest known ligand 0.76

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.76
ALDH1A1 P00352 1/20 0.52
DGKA P23743 1/20 0.51
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
DNM1 Q05193 1/20 0.44
PAM P19021 2/20 0.44
NAAA Q02083 1/20 0.43
HTR2C P28335 1/20 0.43
PRKCA P17252 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.41

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
Allyl Hexanoate SCHEMBL10477305 0.92 TSHR (0.83) TSHRALDH1A1DGKADNM1PAM
SCHEMBL10800734 0.92 TSHR (0.67) TSHRALDH1A1DGKAPRSS1PRSS2
SCHEMBL9247349 0.92 TSHR (0.83) TSHRALDH1A1DGKAPRSS1PRSS2
Allyl Decanoate SCHEMBL9465701 0.90 TSHR (0.87) TSHRALDH1A1DGKADNM1PAM
SCHEMBL14212031 0.89 TSHR (0.63) TSHRALDH1A1DGKAPRSS1PRSS2
Allyl Dodecanoate SCHEMBL4424289 0.89 TSHR (0.96) TSHRALDH1A1DGKAPRSS1PRSS2
Allyl Hexanoate SCHEMBL21086 0.88 TSHR (0.96) TSHRALDH1A1DGKADNM1PAM
Allyl Hexanoate SCHEMBL1869217 0.88 TSHR (0.96) TSHRALDH1A1DGKADNM1PAM
Allyl Hexanoate SCHEMBL27777471 0.87 TSHR (0.86) TSHRALDH1A1DGKADNM1PAM
SCHEMBL8517577 0.87 TSHR (0.74) TSHRALDH1A1DGKAPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455086-B1 BASIC FOOD CLEANING COMPOSITIONS USING FOOD COMPATIBLE INGREDIENTS FOR TREATING FOOD SUCH AS PRODUCE, E.G., FRUITS AND VEGETABLES, AND EDIBLE ANIMAL PROTEINS ARE PROVIDED WITH SPECIFIC NON-SUBSTANTIVE PERFUME. LIQUID AND SOLID POWDER THE PROCTER & GAMBLE COMPANY 2002-09-24 US claimed