SCHEMBL28085847

SCHEMBL28085847

COc1cccc(CC(OC)(OC)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ CTBP2 P56545 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HIF1A Q16665 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ GRM2 Q14416 1/20 0.47
▸ GRM3 Q14832 1/20 0.47
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL21602082 0.84 CYP1A2 (0.52) CYP1A2CTBP2MEN1KMT2AALDH1A1
SCHEMBL12802274 0.83 CYP1A2 (0.54) CYP1A2CTBP2MEN1KMT2AHIF1A
SCHEMBL2678813 0.81 SMN1; SMN2 (0.52) CYP1A2HIF1AALDH1A1SMN1; SMN2LMNA
SCHEMBL2036352 0.80 BLM (0.55) CYP1A2CTBP2MEN1KMT2AALDH1A1
SCHEMBL2036351 0.80 BLM (0.55) CYP1A2CTBP2MEN1KMT2AALDH1A1
SCHEMBL29499675 0.80 BLM (0.55) CYP1A2CTBP2MEN1KMT2AALDH1A1
SCHEMBL8953320 0.80 CYP1A2 (0.51) CYP1A2CTBP2MEN1KMT2AHIF1A
SCHEMBL8953325 0.80 CYP1A2 (0.51) CYP1A2CTBP2MEN1KMT2AHIF1A
SCHEMBL24983272 0.78 CYP1A2 (0.49) CYP1A2CTBP2MEN1KMT2AALDH1A1
SCHEMBL12802168 0.77 ALDH1A1 (0.50) CYP1A2MEN1KMT2AHIF1AALDH1A1

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-105837459-A L-carnitine-modified polyphenol type antioxidants and synthetic method thereof 西安交通大学 2016-08-10 — — CN disclosed
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