SCHEMBL28037283

SCHEMBL28037283

COc1ccc(-c2oc3cccc(O)c3c(=O)c2C/C=C(\C)CCC=C(C)C)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.69
PTPN1 P18031 3/20 0.59
PDE4D Q08499 2/20 0.51
BCHE P06276 3/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
TYR P14679 1/20 0.50
MAOA P21397 1/20 0.50
MGAM O43451 3/20 0.49
GAA P10253 3/20 0.49
SI P14410 3/20 0.49
MGAM2 Q2M2H8 3/20 0.49
ADORA3 P0DMS8 1/20 0.49
SMPD1 P17405 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
ACHE P22303 1/20 0.47
PTGS1 P23219 1/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL6822937 0.82 CYP19A1 (1.00) CYP19A1PTPN1PDE4DBCHEABCG2
SCHEMBL6822936 0.82 CYP19A1 (1.00) CYP19A1PTPN1PDE4DBCHEABCG2
SCHEMBL27006394 0.77 CYP19A1 (0.82) CYP19A1PTPN1PDE4DBCHEABCG2
SCHEMBL29580242 0.75 CYP19A1 (0.69) CYP19A1PTPN1BCHEABCG2TYR
SCHEMBL27442812 0.73 VKORC1 (0.67) PTPN1BCHEMAOAMGAMGAA
SCHEMBL30637449 0.73 TYR (0.66) CYP19A1PTPN1PDE4DBCHEABCG2
SCHEMBL27006392 0.72 PTPN1 (0.52) CYP19A1PTPN1ABCG2MAOAMGAM
Albanin A SCHEMBL27013487 0.71 CYP19A1 (0.82) CYP19A1PTPN1PDE4DBCHEABCG2
SCHEMBL7047705 0.71 CYP3A4 (0.59) CYP19A1PTPN1PDE4DBCHEABCG2
SCHEMBL29808859 0.71 CYP19A1 (0.71) CYP19A1PTPN1PDE4DBCHEABCG2

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-105153089-A Derivative with 5,2'-dihydroxy-4'-methoxy-3-geranyl flavone skeleton and preparation method therefor and use thereof UNIV GUANGXI TEACHERS EDUCATION 2015-12-16 CN disclosed
CN-105153089-A Derivative with 5,2'-dihydroxy-4'-methoxy-3-geranyl flavone skeleton and preparation method therefor and use thereof UNIV GUANGXI TEACHERS EDUCATION 2015-12-16 CN disclosed