SCHEMBL28804165

SCHEMBL28804165

CCCC(C)(CCCCC(C)(C)C)C(=O)OCOCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL19651997 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL12900126 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL21769282 0.77 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4
SCHEMBL28804241 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL25797198 0.75 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28804170 0.75 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL10773349 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL9952240 0.72 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28022531 0.72 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28666037 0.69 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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-108349919-B Polyfunctional epoxy compound and curable composition containing the same 日产化学工业株式会社 2022-06-03 CN disclosed