SCHEMBL8552417

SCHEMBL8552417

CC(C)CC(CC(C)C)(C(=O)OCO)C(=O)OCO

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
PRKCA P17252 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL234539 0.82 TSHR (0.43) MMP8PRKCAMEN1KMT2ATSHR
SCHEMBL234014 0.82 MMP8 (0.56) MMP8MEN1KMT2ATSHR
SCHEMBL235598 0.78 MMP8 (0.41) MMP8
SCHEMBL235100 0.78 MMP8 (0.41) MMP8MEN1KMT2ATSHR
SCHEMBL27724022 0.77 MMP8 (0.51) MMP8MEN1KMT2ATSHR
SCHEMBL234361 0.76 MMP8 (0.41) MMP8TSHR
SCHEMBL235847 0.75 ALDH1A1 (0.47) MMP8TSHR
SCHEMBL236285 0.74 TSHR (0.40) MMP8MEN1KMT2ATSHR
SCHEMBL9052824 0.74 MMP8 (0.53) MMP8MEN1KMT2ATSHR
SCHEMBL28553368 0.74 NAAA (0.46) TSHR

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-5932747-A Method for preparing 1,3-dioxane compounds HUELS AKTIENGESELLSCHAFT (DE) 1999-08-03 US claimed