SCHEMBL31162804

SCHEMBL31162804

COCOc1cc(OCOC)c2c(c1)O[C@@H](c1cc(OCOC)c(OCOC)c(OCOC)c1)[C@H](OC(C)=O)C2=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 14/20 0.64
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ROR1 Q01973 1/20 0.44
▸ STING1 Q86WV6 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL31162722 0.89 ABCB1 (0.47) ABCB1MEN1KMT2AROR1STING1
SCHEMBL30576318 0.89 ABCB1 (0.47) ABCB1MEN1KMT2AROR1STING1
SCHEMBL30576357 0.84 ALDH1A1 (0.54) ABCB1ROR1ALDH1A1HDAC3HDAC4
SCHEMBL31162789 0.84 ALDH1A1 (0.54) ABCB1ROR1ALDH1A1HDAC3HDAC4
SCHEMBL31162797 0.77 ROR1 (0.56) ABCB1MEN1KMT2AROR1ALDH1A1
SCHEMBL31162753 0.76 ALDH1A1 (0.53) ABCB1MEN1KMT2AROR1ALDH1A1
SCHEMBL10609388 0.74 ABCB1 (0.58) ABCB1MEN1KMT2AALDH1A1HDAC1
SCHEMBL25438233 0.73 ALDH1A1 (0.51) ABCB1MEN1KMT2AROR1ALDH1A1
SCHEMBL25438234 0.73 ALDH1A1 (0.51) ABCB1MEN1KMT2AROR1ALDH1A1
SCHEMBL31162814 0.72 ALDH1A1 (0.57) MEN1KMT2AROR1ALDH1A1HDAC3

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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