SCHEMBL30684642

SCHEMBL30684642

O=c1c(-c2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.78
MEN1 O00255 9/20 0.78
KMT2A Q03164 9/20 0.78
ABCB1 P08183 8/20 0.78
KDM4E B2RXH2 7/20 0.78
MAPT P10636 7/20 0.78
CYP2C9 P11712 7/20 0.78
CYP1A2 P05177 7/20 0.78
CYP2D6 P10635 6/20 0.78
POLH Q9Y253 6/20 0.78
XDH P47989 6/20 0.78
FTO Q9C0B1 6/20 0.78
TP53 P04637 6/20 0.78
ALOX15 P16050 6/20 0.78
CYP2C19 P33261 5/20 0.78
CYP1A1 P04798 5/20 0.78
CYP1B1 Q16678 5/20 0.78
ALDH1A1 P00352 5/20 0.78
HPGD P15428 5/20 0.78
DAPK1 P53355 5/20 0.78

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
SCHEMBL2565483 1.00 CYP3A4 (0.78) CYP3A4MEN1KMT2AABCB1KDM4E
SCHEMBL29664378 0.88 POLH (0.79) CYP3A4MEN1KMT2AABCB1KDM4E
Kaempferol SCHEMBL18817 0.88 MEN1 (1.00) CYP3A4MEN1KMT2AABCB1KDM4E
Kaempferol SCHEMBL29378805 0.88 MEN1 (1.00) CYP3A4MEN1KMT2AABCB1KDM4E
Kaempferol SCHEMBL1259228 0.88 MEN1 (1.00) CYP3A4MEN1KMT2AABCB1KDM4E
Kaempferol SCHEMBL30655455 0.88 MEN1 (1.00) CYP3A4MEN1KMT2AABCB1KDM4E
Kaempferol SCHEMBL38651062 0.86 MEN1 (0.97) CYP3A4MEN1KMT2AABCB1KDM4E
Kaempferol SCHEMBL31577746 0.86 MEN1 (0.97) CYP3A4MEN1KMT2AABCB1KDM4E
Kaempferol SCHEMBL31256029 0.86 MEN1 (0.97) CYP3A4MEN1KMT2AABCB1KDM4E
Kaempferol SCHEMBL17237761 0.86 MEN1 (0.97) CYP3A4MEN1KMT2AABCB1KDM4E

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-117257790-A Application of apigenin in preparation of medicine for treating psoriasis 中南民族大学 2023-12-22 CN disclosed