SCHEMBL29142860

SCHEMBL29142860

COc1c(O)ccc(C(=O)O)c1CC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.58
▸ BACE1 P56817 3/20 0.58
▸ MAOB P27338 4/20 0.54
▸ PTPN1 P18031 2/20 0.52
▸ CTSK P43235 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MGAM O43451 1/20 0.48
▸ SI P14410 1/20 0.48
▸ SMPD1 P17405 1/20 0.48
▸ MGAM2 Q2M2H8 1/20 0.48
▸ PPARG P37231 3/20 0.48
▸ PPARA Q07869 2/20 0.48
▸ PPARD Q03181 1/20 0.48
▸ DNMT1 P26358 1/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48

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
SCHEMBL30392603 0.83 MAOB (0.65) APPBACE1MAOBPTPN1CTSK
SCHEMBL29569778 0.81 MAOB (0.66) APPBACE1MAOBPTPN1CTSK
SCHEMBL15364198 0.81 MAOB (0.66) APPBACE1MAOBPTPN1CTSK
SCHEMBL15364199 0.81 MAOB (0.66) APPBACE1MAOBPTPN1CTSK
SCHEMBL15247874 0.81 APP (0.57) APPBACE1MAOBPTPN1CTSK
SCHEMBL14298993 0.78 APP (0.49) APPBACE1MAOBPTPN1CTSK
SCHEMBL27582365 0.77 VKORC1 (0.56) APPBACE1PTPN1GAAMGAM
SCHEMBL5519315 0.76 MAOB (0.66) APPBACE1MAOBPTPN1CTSK
SCHEMBL14523888 0.76 MAOB (0.66) APPBACE1MAOBPTPN1CTSK
SCHEMBL16804151 0.76 MAOB (0.62) APPBACE1MAOBPTPN1CTSK

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-114315586-B Acacia vanillate and preparation method and application thereof in tobacco industry 江苏浩丰生物科技有限公司 2023-12-08 — — CN claimed
CN-114315586-B Acacia vanillate and preparation method and application thereof in tobacco industry 江苏浩丰生物科技有限公司 2023-12-08 — — CN disclosed
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