SCHEMBL28899896

SCHEMBL28899896

COC(C)C(O)C1CCCC(C)C1C(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 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
SCHEMBL1699140 0.77
SCHEMBL16743129 0.70 CA1 (0.50) CA1CA2CA4
SCHEMBL5165989 0.70 CA1 (0.50) CA1CA2CA4
SCHEMBL16743125 0.67 CYP2D6 (0.34)
SCHEMBL929320 0.67
SCHEMBL13429645 0.65 CA1 (0.36) CA1CA2CA4
SCHEMBL10005748 0.65
SCHEMBL3480047 0.65 CA1 (0.48) CA1CA2CA4
SCHEMBL598497 0.64
SCHEMBL8713295 0.62 PKM (0.31)

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-115399467-A Prune flavor type extract essence, preparation method thereof and application of prune flavor type extract essence in baking stuffing 可菲生物科技有限公司 2022-11-29 CN disclosed