SCHEMBL28644230

SCHEMBL28644230

CCCCCC1C(C(=O)OCC)C(=O)C=C(O)C1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ POLB P06746 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ DNTT P04053 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 1/20 0.37
▸ HTT P42858 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL28659104 0.87 DNTT (0.53) ALDH1A1POLBL3MBTL1DNTTTSHR
SCHEMBL19687788 0.76 ALDH1A1 (0.65) ALDH1A1POLBL3MBTL1DNTTMEN1
SCHEMBL30844859 0.75 ALDH1A1 (0.64) ALDH1A1POLBL3MBTL1DNTTMEN1
SCHEMBL29225442 0.75 ALDH1A1 (0.64) ALDH1A1POLBL3MBTL1DNTTMEN1
SCHEMBL23533397 0.69 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL669803 0.69 ALDH1A1 (0.97) ALDH1A1POLBL3MBTL1DNTTMEN1
SCHEMBL19680126 0.69 ALDH1A1 (0.56) ALDH1A1POLBL3MBTL1DNTTMEN1
SCHEMBL19680545 0.68 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL30844864 0.68 ALDH1A1 (0.55) ALDH1A1POLBL3MBTL1DNTTMEN1
SCHEMBL17817125 0.68 ALDH1A1 (1.00) ALDH1A1POLBL3MBTL1DNTTMEN1

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-113603568-A Preparation method of cannabidiol 厦门朝阳生物工程有限公司 2021-11-05 — — CN disclosed
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