SCHEMBL20437861

SCHEMBL20437861

C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)OC(c3ccc(O)c(O)c3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 1.00
PTPN1 P18031 3/20 0.88
GSK3B P49841 2/20 0.88
CYP19A1 P11511 1/20 0.88
UBE2N P61088 1/20 0.88
SLCO2B1 O94956 2/20 0.79
SYNJ2 O15056 1/20 0.79
DPP4 P27487 1/20 0.75
KDM1A O60341 2/20 0.69
POLB P06746 1/20 0.65
CALM1 P0DP23 1/20 0.65
CACNA1B Q00975 1/20 0.65
APBA1 Q02410 1/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
XDH P47989 2/20 0.64
TRPA1 O75762 1/20 0.51
P4HB P07237 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
SCHEMBL7203878 1.00 PKM (1.00) PKMPTPN1GSK3BCYP19A1UBE2N
SCHEMBL29366330 1.00 PKM (1.00) PKMPTPN1GSK3BCYP19A1UBE2N
Naringin SCHEMBL20386954 0.94 PTPN1 (1.00) PKMPTPN1GSK3BCYP19A1UBE2N
Naringin SCHEMBL1201445 0.94 PTPN1 (1.00) PKMPTPN1GSK3BCYP19A1UBE2N
Naringin SCHEMBL13237107 0.94 PTPN1 (1.00) PKMPTPN1GSK3BCYP19A1UBE2N
Naringin SCHEMBL23431 0.94 PTPN1 (1.00) PKMPTPN1GSK3BCYP19A1UBE2N
Naringin SCHEMBL16592383 0.94 PTPN1 (1.00) PKMPTPN1GSK3BCYP19A1UBE2N
Naringin SCHEMBL2614060 0.94 PTPN1 (1.00) PKMPTPN1GSK3BCYP19A1UBE2N
Naringin SCHEMBL20383126 0.94 PTPN1 (1.00) PKMPTPN1GSK3BCYP19A1UBE2N
Naringin SCHEMBL14114613 0.94 PTPN1 (1.00) PKMPTPN1GSK3BCYP19A1UBE2N

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
US-20180216152-A1 METHOD FOR THE BIOTECHNOLOGICAL PRODUCTION OF FLAVONE GLYCOSIDE DIHYDROCHALCONES SYMRISE AG (DE) 2018-08-02 US disclosed
US-20180216152-A1 METHOD FOR THE BIOTECHNOLOGICAL PRODUCTION OF FLAVONE GLYCOSIDE DIHYDROCHALCONES SYMRISE AG (DE) 2018-08-02 US disclosed