SCHEMBL24968299

SCHEMBL24968299

C=C(C)C1CCC2(CCCCC)CC(=O)CC(C)C2(C)C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
HSD17B3 P37058 2/20 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
SCHEMBL26099557 0.79 CYP2C19 (0.33) CYP2C19
SCHEMBL23713628 0.79 CYP2C19 (0.35) CYP2C19
SCHEMBL18031735 0.77 CYP2C19 (0.42) CYP2C19
SCHEMBL13588603 0.76 CYP2C19 (0.41) CYP2C19
SCHEMBL27207751 0.64 CYP2C19 (0.40) CYP2C19
SCHEMBL26189394 0.64 CYP2C19 (0.40) CYP2C19
1,10-Dihydronootkatone SCHEMBL23954040 0.61 CYP2C19 (0.44) CYP2C19
1,10-Dihydronootkatone SCHEMBL20608607 0.61 CYP2C19 (0.44) CYP2C19
1,10-Dihydronootkatone SCHEMBL29635345 0.61 CYP2C19 (0.44) CYP2C19
SCHEMBL11430412 0.60 POLB (0.32)

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-20230032098-A1 ENCAPSULATED PRO-PERFUME COMPOUNDS FIRMENICH SA (CH) 2023-02-02 US disclosed