SCHEMBL11051124

SCHEMBL11051124

Cc1ccc(O)c2c(=O)c(-c3ccc(O)cc3)coc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
ESR1 P03372 3/20 0.62
ESR2 Q92731 3/20 0.62
XDH P47989 2/20 0.57
PFKFB3 Q16875 1/20 0.57
MAPT P10636 5/20 0.54
ALOX15 P16050 4/20 0.54
ABCB1 P08183 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 3/20 0.54
TP53 P04637 3/20 0.54
HPGD P15428 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54

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
SCHEMBL15853599 0.81 ALDH1A1 (1.00) ALDH1A1ESR1ESR2XDHPFKFB3
SCHEMBL572094 0.78 ALDH1A1 (0.74) ALDH1A1ESR1ESR2XDHPFKFB3
SCHEMBL330038 0.77 XDH (0.74) ALDH1A1ESR1ESR2XDHPFKFB3
SCHEMBL571136 0.77 ESR1 (1.00) ALDH1A1ESR1ESR2XDHPFKFB3
Psi-Tectorigenin SCHEMBL571713 0.75 ALDH1A1 (0.70) ALDH1A1ESR1ESR2XDHPFKFB3
Psi-Tectorigenin SCHEMBL29783038 0.75 ALDH1A1 (0.70) ALDH1A1ESR1ESR2XDHPFKFB3
SCHEMBL26071480 0.75 ALDH1A1 (0.66) ALDH1A1ESR1ESR2XDHPFKFB3
SCHEMBL678215 0.73 SMN1; SMN2 (0.74) ALDH1A1ESR1ESR2XDHMAPT
SCHEMBL4779251 0.73 MAPT (0.64) ALDH1A1ESR1ESR2XDHPFKFB3
SCHEMBL30533224 0.73 XDH (1.00) ALDH1A1ESR1ESR2XDHPFKFB3

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
EP-0101639-A2 Process for isolating saponins and flavonoids from leguminous plants TOKIWA KANPO PHARMACEUTICAL CO., LTD. (JP) 1984-02-29 EP disclosed
US-4428876-A Process for isolating saponins and flavonoids from leguminous plants TOKIWA KANPO PHARMACEUTICAL CO., LTD. (JP) 1984-01-31 US disclosed