SCHEMBL8765011

SCHEMBL8765011

CCCCCCCC[C@H](O)[C@H](O)[C@H]1CCC(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.51
CYP1A2 P05177 2/20 0.49

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
SCHEMBL9431402 1.00 PRKCA (0.51) PRKCACYP1A2
SCHEMBL9084549 0.86 PRKCA (0.49) PRKCACYP1A2
SCHEMBL15603789 0.83 PRKCA (0.51) PRKCACYP1A2
SCHEMBL6859191 0.83 PRKCA (0.51) PRKCACYP1A2
SCHEMBL18193440 0.83 PRKCA (0.51) PRKCACYP1A2
SCHEMBL25931772 0.81 CYP1A2 (0.54) PRKCACYP1A2
SCHEMBL13714145 0.78 CYP1A2 (0.50) PRKCACYP1A2
SCHEMBL10532101 0.77
SCHEMBL10919331 0.77
SCHEMBL10532084 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528044-B1 Process for producing 4-substituted gamma- lactone, and the so produced novel substances. JAPAN TOBACCO INC (JP) 1997-08-13 EP disclosed
US-5374744-A Sex pheronome of Japanese beetle, cupreous chafers; oxidation, reduction, cleavage, cyclization, alkynylation, hydrolysis JAPAN TOBACCO INC. (JP) 1994-12-20 US disclosed
EP-0528044-A1 PROCESS FOR PRODUCING 4-SUBSTITUTED $g(g)-LACTONE, AND NOVEL SUBSTANCE JAPAN TOBACCO INC. (JP) 1993-02-24 EP disclosed