SCHEMBL9617897

SCHEMBL9617897

CC(=O)CC(=O)O[C@]1(C)CC[C@@H](C(C)C)[C@H](O)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL27642076 0.87 TRPA1 (0.30)
SCHEMBL27801263 0.86 TRPA1 (0.31)
SCHEMBL28148440 0.86 GPBAR1 (0.32)
SCHEMBL8644392 0.85 TSHR (0.35)
SCHEMBL27959985 0.84 TRPA1 (0.30)
SCHEMBL4505364 0.84 TRPA1 (0.30)
SCHEMBL28289084 0.84 EP300 (0.33)
SCHEMBL27875446 0.84 TRPA1 (0.30)
SCHEMBL27668512 0.84 TRPA1 (0.30)
SCHEMBL28208660 0.84 TRPA1 (0.33)

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
JP-4069362-A None JP disclosed
CN-109232340-A It is a kind of to prepare 3- amido -2- thiocyanogen-α, β-unsaturated compound method 兰州大学 2019-01-18 CN disclosed
JP-H0469362-A PREPARATION OF ACETOACETIC ACID L-MENTHYL ESTER MITSUI TOATSU CHEM INC 1992-03-04 JP disclosed