SCHEMBL30844864

SCHEMBL30844864

CCCCCC1CC=CC(=O)C1C(=O)OCC.[Na]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ POLB P06746 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ DNTT P04053 2/20 0.44
▸ POLA1 P09884 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PPARG P37231 2/20 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
SCHEMBL19680126 0.99 ALDH1A1 (0.56) ALDH1A1POLBL3MBTL1DNTTPOLA1
SCHEMBL19677655 0.89 ALDH1A1 (0.44) ALDH1A1POLBL3MBTL1DNTTMEN1
SCHEMBL30844858 0.88 DNTT (0.58) ALDH1A1POLBL3MBTL1DNTTPOLA1
SCHEMBL30844860 0.86 DNTT (0.59) ALDH1A1POLBL3MBTL1DNTTPOLA1
SCHEMBL29225444 0.85 DNTT (0.58) ALDH1A1POLBL3MBTL1DNTTPOLA1
SCHEMBL30844859 0.78 ALDH1A1 (0.64) ALDH1A1POLBL3MBTL1DNTTMEN1
SCHEMBL19687788 0.76 ALDH1A1 (0.65) ALDH1A1POLBL3MBTL1DNTTMEN1
SCHEMBL7727816 0.76 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL29225442 0.75 ALDH1A1 (0.64) ALDH1A1POLBL3MBTL1DNTTMEN1
SCHEMBL669803 0.72 ALDH1A1 (0.97) 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-117865780-A Total synthesis process of cannabidiol 山东新华制药股份有限公司 2024-04-12 — — CN disclosed
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