SCHEMBL30576357

SCHEMBL30576357

COCOc1cc(OCOC)c2c(c1)OC(c1cc(OCOC)c(OCOC)c(OCOC)c1)C(O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.54
▸ ROR1 Q01973 1/20 0.47
▸ XDH P47989 3/20 0.45
▸ ABCB1 P08183 8/20 0.43
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ SYNJ2 O15056 1/20 0.39
▸ APP P05067 1/20 0.39
▸ SOST Q9BQB4 1/20 0.39

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
SCHEMBL31162789 1.00 ALDH1A1 (0.54) ALDH1A1ROR1XDHABCB1HDAC3
SCHEMBL31162814 0.88 ALDH1A1 (0.57) ALDH1A1ROR1XDHHDAC3HDAC4
SCHEMBL31162722 0.87 ABCB1 (0.47) ALDH1A1ROR1ABCB1HDAC3HDAC4
SCHEMBL30576318 0.87 ABCB1 (0.47) ALDH1A1ROR1ABCB1HDAC3HDAC4
SCHEMBL31162964 0.86 ALDH1A1 (0.71) ALDH1A1ROR1XDHHDAC3HDAC4
SCHEMBL31162804 0.84 ABCB1 (0.64) ALDH1A1ROR1ABCB1HDAC3HDAC4
SCHEMBL23202794 0.82 ALDH1A1 (0.62) ALDH1A1ROR1XDHSYNJ2
SCHEMBL30350332 0.82 ALDH1A1 (0.62) ALDH1A1ROR1XDHSYNJ2
SCHEMBL23202731 0.81 XDH (0.50) ALDH1A1XDHSYNJ2APPSOST
SCHEMBL30350360 0.81 XDH (0.50) ALDH1A1XDHSYNJ2APPSOST

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
EP-4448506-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS Firmenich Incorporated (US) 2024-10-23 — — EP disclosed
WO-2023172394-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2023-09-14 — — WO disclosed
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