SCHEMBL31527879

SCHEMBL31527879

CO[C@@H]1C(=O)c2ccc(O)cc2O[C@H]1c1ccc(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ IDO1 P14902 1/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ TDO2 P48775 1/20 0.52
▸ CYP19A1 P11511 2/20 0.52
▸ RECQL P46063 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ NFKB1 P19838 1/20 0.49

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
SCHEMBL4660890 0.90 ESR1 (0.66) ESR1ESR2CYP19A1MAPTMEN1
SCHEMBL31527857 0.90 ESR1 (0.66) ESR1ESR2CYP19A1MAPTMEN1
SCHEMBL25434157 0.89 ESR1 (0.50) ESR1ESR2CYP19A1MAPTCYP3A4
SCHEMBL25434155 0.89 ESR1 (0.50) ESR1ESR2CYP19A1MAPTCYP3A4
SCHEMBL31527845 0.88 CYP19A1 (0.60) IDO1NSD2TDO2CYP19A1KDM4E
SCHEMBL17362276 0.83 ESR1 (0.63) ESR1ESR2IDO1NSD2TDO2
SCHEMBL31527939 0.82 MAPT (0.69) CYP19A1RECQLKDM4EMAPTCYP3A4
SCHEMBL1067942 0.82 MAPT (0.69) CYP19A1RECQLKDM4EMAPTCYP3A4
SCHEMBL30256424 0.82 MAPT (0.69) CYP19A1RECQLKDM4EMAPTCYP3A4
SCHEMBL30915485 0.82 ESR1 (0.48) ESR1ESR2IDO1NSD2TDO2

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
US-20250134146-A1 FLAVANONE COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH INCORPORATED (US) 2025-05-01 — — US disclosed
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