SCHEMBL28804170

SCHEMBL28804170

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ENPP2 Q13822 1/20 0.32
LPAR2 Q9HBW0 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
SCHEMBL28804241 0.90 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL28804265 0.82 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1
SCHEMBL5076240 0.77 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL28804165 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28804268 0.72 TSHR (0.41) CYP4F2CYP4A11TSHR
SCHEMBL9952240 0.72 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28666037 0.72 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL12026823 0.72 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL28983062 0.71 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CYP4F2CYP4A11TSHR
SCHEMBL29149655 0.70 CYP4F2 (0.50) SMN1; SMN2ALDH1A1TDP1CYP4F2CYP4A11

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