SCHEMBL11779286

SCHEMBL11779286

C=CCC1COC(CCCCC2OCC(CC=C)O2)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.36
PRKCG P05129 2/20 0.36
PRKCB P05771 2/20 0.36
PRKCA P17252 2/20 0.36
PRKCH P24723 2/20 0.36
PRKCI P41743 2/20 0.36
PRKCE Q02156 2/20 0.36
PRKCQ Q04759 2/20 0.36
PRKCZ Q05513 2/20 0.36
PRKCD Q05655 2/20 0.36
PRKD1 Q15139 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ENPP2 Q13822 12/20 0.35
LPAR2 Q9HBW0 9/20 0.35
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5164659 0.87 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL334656 0.77
SCHEMBL175524 0.77
SCHEMBL335471 0.77
SCHEMBL6113675 0.76 PRKD3 (0.38) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2872830 0.74 ALDH1A1 (0.46) ALDH1A1TDP1
Water SCHEMBL359935 0.74
SCHEMBL6113692 0.73 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL6113937 0.73 PRKD3 (0.36) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL17049496 0.72 ALDH1A1 (0.67) ALDH1A1ENPP2LPAR2TDP1

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-4009129-A FOAMING, CATIONIC CATALYSTS UNION CARBIDE CORPORATION (US) 1977-02-22 US disclosed