SCHEMBL31162814

SCHEMBL31162814

COCOc1ccc([C@@H]2Oc3cc(OCOC)cc(OCOC)c3C(=O)[C@H]2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ ROR1 Q01973 1/20 0.56
▸ XDH P47989 3/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ AGTR1 P30556 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 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
SCHEMBL31162964 0.89 ALDH1A1 (0.71) ALDH1A1ROR1XDHSMN1; SMN2KDM4E
SCHEMBL31162789 0.88 ALDH1A1 (0.54) ALDH1A1ROR1XDHHDAC3HDAC4
SCHEMBL30576357 0.88 ALDH1A1 (0.54) ALDH1A1ROR1XDHHDAC3HDAC4
SCHEMBL23202794 0.87 ALDH1A1 (0.62) ALDH1A1ROR1XDHKDM4EMAPT
SCHEMBL30350332 0.87 ALDH1A1 (0.62) ALDH1A1ROR1XDHKDM4EMAPT
SCHEMBL31162797 0.86 ROR1 (0.56) ALDH1A1ROR1MAPTHTTHDAC3
SCHEMBL25434723 0.76 ALDH1A1 (0.56) ALDH1A1ROR1XDHSMN1; SMN2KDM4E
SCHEMBL25434717 0.76 ALDH1A1 (0.56) ALDH1A1ROR1XDHSMN1; SMN2KDM4E
SCHEMBL31162753 0.76 ALDH1A1 (0.53) ALDH1A1ROR1XDHKDM4EHDAC3
SCHEMBL30576367 0.76 ALDH1A1 (0.56) ALDH1A1ROR1XDHSMN1; SMN2KDM4E

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
US-20250134146-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2025-05-01 — — US disclosed
CN-118829632-A Flavanone compounds and their use as flavor modifiers 弗门尼舍公司 2024-10-22 — — CN disclosed
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