SCHEMBL30844858

SCHEMBL30844858

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNTT P04053 6/20 0.58
POLB P06746 4/20 0.43
POLA1 P09884 4/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.34
ALOX5 P09917 1/20 0.34
GRM2 Q14416 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
PPARG P37231 2/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL30844860 0.99 DNTT (0.59) DNTTPOLBPOLA1ALDH1A1L3MBTL1
SCHEMBL29225444 0.97 DNTT (0.58) DNTTPOLBPOLA1ALDH1A1L3MBTL1
SCHEMBL30844864 0.88 ALDH1A1 (0.55) DNTTPOLBPOLA1ALDH1A1L3MBTL1
SCHEMBL19680126 0.86 ALDH1A1 (0.56) DNTTPOLBPOLA1ALDH1A1L3MBTL1
SCHEMBL19677655 0.76 ALDH1A1 (0.44) DNTTPOLBALDH1A1L3MBTL1TSHR
SCHEMBL435682 0.71 ALDH1A1 (0.46) DNTTPOLBPOLA1ALDH1A1TSHR
SCHEMBL15994429 0.70 ALDH1A1 (0.60) DNTTPOLBPOLA1ALDH1A1L3MBTL1
SCHEMBL6900417 0.68 DNTT (0.36) DNTTALDH1A1L3MBTL1GRM2PPARG
SCHEMBL12325742 0.68 POLB (0.47) DNTTPOLBPOLA1ALDH1A1L3MBTL1
SCHEMBL19491936 0.67 DNTT (0.44) DNTTPOLBPOLA1ALDH1A1L3MBTL1

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