SCHEMBL28804265

SCHEMBL28804265

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ACE2 Q9BYF1 1/20 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
SCHEMBL28804241 0.88 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2
SCHEMBL28804170 0.82 SMN1; SMN2 (0.45) ALDH1A1TDP1SMN1; SMN2
SCHEMBL28804206 0.78 TSHR (0.36) TDP1ACE2
SCHEMBL5076240 0.76 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2
SCHEMBL30816 0.73 ALDH1A1 (0.63) ALDH1A1TDP1SMN1; SMN2
SCHEMBL28804315 0.72 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2
Butane SCHEMBL1956130 0.72 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2
SCHEMBL28545932 0.71 ALDH1A1 (0.40) ALDH1A1TDP1SMN1; SMN2
SCHEMBL8672267 0.70 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2ACE2
SCHEMBL8674186 0.70 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2ACE2

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