SCHEMBL30428446

SCHEMBL30428446

CCCCCCC1C(=O)CCC1(C)C(=O)OC.CCOC(=O)C1C(CC)=CCCC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.33
▸ DNTT P04053 3/20 0.32
▸ POLA1 P09884 2/20 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
SCHEMBL29010515 0.80 DNTT (0.40) POLBALDH1A1L3MBTL1DNTT
SCHEMBL114467 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1
SCHEMBL29402949 0.71 ALDH1A1 (0.34) ALDH1A1
SCHEMBL16269291 0.68 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16269292 0.68 ALDH1A1 (0.36) ALDH1A1
SCHEMBL273056 0.68 PRKCA (0.40) POLB
SCHEMBL10886192 0.66 CHRM2 (0.36) ALDH1A1
SCHEMBL10891280 0.65 TSHR (0.36) POLBALDH1A1L3MBTL1
SCHEMBL10648071 0.65 ALDH1A1 (0.48) POLBALDH1A1L3MBTL1
SCHEMBL2264463 0.65 ALDH1A1 (0.40) ALDH1A1

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-110719768-B Powder comprising crystals having inclusions enclosed therein 西姆莱斯有限公司 2023-06-02 — — CN disclosed
Send feedback