SCHEMBL24475288

SCHEMBL24475288

CC1=CCC2(CCCC(C)(C)C2O)[C@@H](C)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33

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
SCHEMBL5199050 1.00 CYP3A4 (0.33) CYP3A4
SCHEMBL5201767 0.79
SCHEMBL21035809 0.77 CYP3A4 (0.34) CYP3A4
SCHEMBL5199683 0.76 ESR1 (0.32)
SCHEMBL5200029 0.73
SCHEMBL22614839 0.72 CYP3A4 (0.30) CYP3A4
SCHEMBL22614811 0.69 STAT3 (0.35) CYP3A4
SCHEMBL10766278 0.68 CYP3A4 (0.35) CYP3A4
SCHEMBL5199760 0.68 GAA (0.32) CYP3A4
SCHEMBL3697329 0.65 CYP3A4 (0.41) CYP3A4

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
WO-2022112118-A1 REDUCTION BY A SILANE IN THE PRESENCE OF ZINC CATALYST FIRMENICH SA (CH) 2022-06-02 WO disclosed