SCHEMBL30754201

SCHEMBL30754201

[2H][C@]1(c2ccc(O)cc2)Oc2cc(O)cc(O)c2C(=O)C1(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.51
CYP19A1 P11511 5/20 0.51
CYP1A2 P05177 4/20 0.51
HSD17B10 Q99714 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CYP1A1 P04798 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1B1 Q16678 3/20 0.51
ALOX12 P18054 2/20 0.51
CA12 O43570 2/20 0.51
SLCO2B1 O94956 2/20 0.51
CA4 P22748 2/20 0.51
PSMB5 P28074 2/20 0.51
CA7 P43166 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP2C9 P11712 2/20 0.51
TTR P02766 2/20 0.51
ESR1 P03372 1/20 0.51
SHBG P04278 1/20 0.51

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
SCHEMBL6068882 0.83 CYP3A4 (0.53) CYP3A4CYP19A1CYP1A2HSD17B10MEN1
SCHEMBL15544677 0.76 RECQL (0.55) CYP3A4CYP19A1CYP1A2HSD17B10MEN1
SCHEMBL31237635 0.76 RECQL (0.55) CYP3A4CYP19A1CYP1A2HSD17B10MEN1
SCHEMBL5597840 0.74 CYP3A4 (0.54) CYP3A4CYP19A1CYP1A2HSD17B10MEN1
SCHEMBL31238336 0.74 RECQL (0.56) CYP3A4CYP19A1CYP1A2HSD17B10MEN1
SCHEMBL28006751 0.72 RECQL (0.55) CYP3A4CYP19A1CYP1A2HSD17B10MEN1
SCHEMBL5146606 0.72 POLB (0.60) CYP3A4CYP19A1CYP1A2HSD17B10MEN1
Naringenin SCHEMBL30266699 0.71 CYP19A1 (0.71) CYP3A4CYP19A1CYP1A2HSD17B10MEN1
Dihydrokaempferol SCHEMBL29522916 0.71 CBS (0.60) CYP3A4CYP19A1CYP1A2HSD17B10MEN1
Dihydrokaempferol SCHEMBL30311932 0.71 RECQL (0.53) CYP3A4CYP19A1CYP1A2HSD17B10MEN1

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
CN-113322288-B Novel flavone hydroxylase, microorganism for synthesizing flavone C-glycoside compounds and application thereof 中国科学院分子植物科学卓越创新中心 2023-12-26 CN disclosed