SCHEMBL28547472

SCHEMBL28547472

COc1ccc(C2(c3ccccc3)Oc3ccc(OC)cc3C(=O)C2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.47
KDM4E B2RXH2 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
HTT P42858 2/20 0.46
CYP2D6 P10635 2/20 0.46
HIF1A Q16665 2/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TP53 P04637 1/20 0.46
PPIB P23284 1/20 0.45
ABCB1 P08183 1/20 0.43

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
SCHEMBL1663481 0.78 CYP19A1 (0.42) CYP19A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL1664095 0.78 CYP19A1 (0.42) CYP19A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL1664837 0.78 CYP19A1 (0.42) CYP19A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL1663812 0.78 CYP19A1 (0.42) CYP19A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL1664169 0.78 CYP19A1 (0.42) CYP19A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL1664170 0.78 CYP19A1 (0.42) CYP19A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7755343 0.74 TP53 (0.52) CYP19A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL3197529 0.73 CYP19A1 (0.46) CYP19A1KDM4ESMN1; SMN2KMT2ANPC1
SCHEMBL30912243 0.72 ALDH1A1 (0.39) KDM4ESMN1; SMN2KMT2AMEN1NPC1
SCHEMBL7521156 0.68 CYP19A1 (0.50) CYP19A1KDM4ESMN1; SMN2KMT2AMEN1

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-212757256-U Be applied to drying device that buchanania chinensis draws flavonoid composition 赣南卫生健康职业学院 2021-03-23 CN disclosed