SCHEMBL20448953

SCHEMBL20448953

COc1cc(Cn2c(=O)oc3ccc(O)c(O)c3c2=O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.52
▸ HTT P42858 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MIF P14174 3/20 0.45
▸ CD74 P04233 2/20 0.45
▸ MGAM O43451 1/20 0.44
▸ NFKB1 P19838 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42

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
SCHEMBL20448919 0.86 CYP1B1 (0.51) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL20546959 0.85 SMN1; SMN2 (0.50) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL16296890 0.80 TSHR (0.80) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL28452863 0.73 MGAM (0.51) TSHRLMNAALDH1A1GAAMAPK1
SCHEMBL17312313 0.68 TSHR (0.65) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL2757835 0.65 MIF (0.71) TSHRHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL28537271 0.65 TSHR (0.66) TSHRLMNAALDH1A1GAAMAPK1
SCHEMBL68178 0.64 CALM1 (0.79) TSHRLMNAALDH1A1GAAMAPK1
SCHEMBL17780116 0.64 PTPN1 (0.82) TSHRLMNAALDH1A1GAAMAPK1
SCHEMBL29604390 0.64 PTPN1 (0.82) TSHRLMNAALDH1A1GAAMAPK1

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
EP-3355719-A1 USE OF CERTAIN HYDROXYBENZOIC ACID AMIDES FOR MASKING UNPLEASANT TASTE IMPRESSIONS Symrise AG (DE) 2018-08-08 — — EP disclosed
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