SCHEMBL25434803

SCHEMBL25434803

COCOc1cc(C2Oc3cccc(OCOC)c3C(=O)C2O)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ XDH P47989 2/20 0.56
▸ MAPT P10636 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ AGTR1 P30556 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ CYP2C9 P11712 5/20 0.45
▸ CYP3A4 P08684 5/20 0.45
▸ SLCO1B3 Q9NPD5 4/20 0.45
▸ SLCO1B1 Q9Y6L6 4/20 0.45
▸ ALOX15 P16050 3/20 0.45
▸ SLCO2B1 O94956 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HIF1A Q16665 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45

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
SCHEMBL25434797 1.00 ALDH1A1 (0.61) ALDH1A1XDHMAPTHPGDKDM4E
SCHEMBL31162964 0.87 ALDH1A1 (0.71) ALDH1A1XDHMAPTHPGDKDM4E
SCHEMBL25436515 0.87 ALDH1A1 (0.45) ALDH1A1XDHHPGDKDM4EMEN1
SCHEMBL25436520 0.87 ALDH1A1 (0.45) ALDH1A1XDHHPGDKDM4EMEN1
SCHEMBL30576367 0.81 ALDH1A1 (0.56) ALDH1A1XDHMAPTHPGDKDM4E
SCHEMBL25434717 0.81 ALDH1A1 (0.56) ALDH1A1XDHMAPTHPGDKDM4E
SCHEMBL25434723 0.81 ALDH1A1 (0.56) ALDH1A1XDHMAPTHPGDKDM4E
SCHEMBL23202794 0.79 ALDH1A1 (0.62) ALDH1A1XDHMAPTHPGDKDM4E
SCHEMBL30350332 0.79 ALDH1A1 (0.62) ALDH1A1XDHMAPTHPGDKDM4E
SCHEMBL28320416 0.77 ALDH1A1 (0.56) ALDH1A1XDHMAPTHPGDKDM4E

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
WO-2023172394-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2023-09-14 — — WO disclosed
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