SCHEMBL31046808

SCHEMBL31046808

C=C(C)C1CCC2=C([Se]CCCCCCCCCCCC)C(=O)CC(C)C2(C)C1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45

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
SCHEMBL26099557 0.65 CYP2C19 (0.33) CYP2C19
Nootkatone SCHEMBL335639 0.62 CYP2C19 (1.00) CYP2C19
Nootkatone SCHEMBL309679 0.62 CYP2C19 (1.00) CYP2C19
Nootkatone SCHEMBL3276192 0.62 CYP2C19 (1.00) CYP2C19
SCHEMBL24968299 0.59 CYP2C19 (0.36) CYP2C19
SCHEMBL23015535 0.57 ESR1 (0.33) CYP2C19
Alcohol SCHEMBL4998384 0.57 CYP2C19 (0.55) CYP2C19
SCHEMBL11695539 0.56 LMNA (0.40) CYP2C19
SCHEMBL408672 0.55 CYP2C19 (0.47) CYP2C19
SCHEMBL17513158 0.55 CYP2C19 (0.60) CYP2C19

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
CN-115052859-B Selenide derivatives of perfume compounds 西姆莱斯股份公司 2024-08-13 CN disclosed