SCHEMBL28024600

SCHEMBL28024600

COc1ccc(C2Oc3cc(O)cc(OC)c3C(=O)C2O)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.78
▸ XDH P47989 3/20 0.71
▸ CYP2C9 P11712 4/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ ALOX15 P16050 4/20 0.58
▸ SLCO1B3 Q9NPD5 4/20 0.58
▸ SLCO1B1 Q9Y6L6 4/20 0.58
▸ MAPT P10636 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ SLCO2B1 O94956 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ ALOX12 P18054 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ HIF1A Q16665 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ F2 P00734 1/20 0.58
▸ PLAU P00749 1/20 0.58

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
SCHEMBL19789557 0.92 XDH (0.70) ALDH1A1XDHCYP2C9CYP3A4ALOX15
SCHEMBL28460634 0.92 CYP2C9 (0.68) ALDH1A1XDHCYP2C9CYP3A4ALOX15
SCHEMBL13750522 0.90 ALDH1A1 (0.63) ALDH1A1XDHCYP2C9CYP3A4ALOX15
SCHEMBL16887994 0.89 XDH (0.73) ALDH1A1XDHCYP2C9CYP3A4ALOX15
SCHEMBL17179811 0.88 ALDH1A1 (1.00) ALDH1A1XDHMAPTHPGDKDM4E
SCHEMBL6565198 0.88 ALDH1A1 (0.60) ALDH1A1XDHCYP2C9CYP3A4ALOX15
SCHEMBL10335311 0.85 XDH (0.67) ALDH1A1XDHCYP2C9CYP3A4ALOX15
Dihydroisorhamnetin SCHEMBL30915472 0.84 CYP2C9 (0.78) ALDH1A1XDHCYP2C9CYP3A4ALOX15
Dihydroisorhamnetin SCHEMBL31237482 0.84 CYP2C9 (0.78) ALDH1A1XDHCYP2C9CYP3A4ALOX15
Dihydroisorhamnetin SCHEMBL16887921 0.84 CYP2C9 (0.78) ALDH1A1XDHCYP2C9CYP3A4ALOX15

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
CN-104926773-B Method for extracting flavanone framework compounds in spina gleditsiae and application of flavanone framework compounds 河南科技大学 2017-03-22 — — CN disclosed
CN-104926773-A Method for extracting flavanone framework compounds in spina gleditsiae and application of flavanone framework compounds UNIV HENAN SCIENCE & TECH 2015-09-23 — — CN disclosed
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