SCHEMBL28458200

SCHEMBL28458200

CC(C)(C)CC(=O)OC1CC(C)(O)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9101438 0.78 APOBEC3A (0.44) CYP2C19
SCHEMBL16792331 0.75 ELANE (0.32)
SCHEMBL27951874 0.75 NAAA (0.46) CYP2C19
SCHEMBL291275 0.73 NAAA (0.51) CYP2C19
SCHEMBL18253429 0.73
SCHEMBL8716143 0.72 SMYD3 (0.40) CYP2C19
SCHEMBL17819382 0.72 CYP19A1 (0.47) CYP2C19
SCHEMBL28011826 0.71 TSHR (0.42)
SCHEMBL28169287 0.70 NR1H2 (0.39)
SCHEMBL27958779 0.70 DPP4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104520290-B Amido spirocyclic amide and sulfonamide derivatives 基因科技股份有限公司 2020-10-09 CN disclosed