SCHEMBL28987646

SCHEMBL28987646

COc1cc(COc2ccc(C=Cc3ccccc3)cc2)cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.61
▸ TRPA1 O75762 1/20 0.61
▸ FFAR1 O14842 1/20 0.59
▸ PPARG P37231 1/20 0.59
▸ PPARD Q03181 1/20 0.59
▸ PPARA Q07869 1/20 0.59
▸ ESR1 P03372 4/20 0.58
▸ AHR P35869 3/20 0.58
▸ RELA Q04206 1/20 0.56
▸ MAOB P27338 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL1975681 0.89 LCK (0.68) LCKFFAR1PPARGPPARDPPARA
SCHEMBL1975680 0.89 LCK (0.68) LCKFFAR1PPARGPPARDPPARA
SCHEMBL13332739 0.85 MAOB (0.70) MAOBABCB1APP
SCHEMBL8913578 0.81 LCK (0.81) LCKPPARGPPARARELAMAOB
SCHEMBL8913590 0.81 LCK (0.81) LCKPPARGPPARARELAMAOB
SCHEMBL27610920 0.81 ALDH1A1 (0.58) FFAR1PPARGPPARDPPARAESR1
SCHEMBL14786203 0.79 LCK (0.77) LCKPPARGPPARARELAMAOB
SCHEMBL20024692 0.79 LCK (0.77) LCKPPARGPPARARELAMAOB
SCHEMBL6308482 0.79 LCK (0.77) LCKFFAR1PPARGPPARDPPARA
SCHEMBL3650797 0.79 LCK (0.77) LCKFFAR1PPARGPPARDPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819195-B Preparation method of pterostilbene 三原润禾生物科技有限公司 2024-01-05 — — CN disclosed
CN-115819195-A Preparation method of pterostilbene 三原润禾生物科技有限公司 2023-03-21 — — CN disclosed
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