SCHEMBL2164091

SCHEMBL2164091

C[C@H]1O[C@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 7/20 0.73
AKR1B1 P15121 4/20 0.73
CA12 O43570 2/20 0.73
CA2 P00918 2/20 0.73
CA4 P22748 2/20 0.73
CA7 P43166 2/20 0.73
ACHE P22303 1/20 0.73
NQO2 P16083 1/20 0.70
GAA P10253 4/20 0.70
EPHX2 P34913 4/20 0.70
POLB P06746 3/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
XDH P47989 2/20 0.70
APEX1 P27695 1/20 0.70
RECQL P46063 1/20 0.70
KDM4E B2RXH2 3/20 0.68
MAPT P10636 2/20 0.68
ALPL P05186 2/20 0.68
ALPI P09923 2/20 0.68
ADRA2C P18825 1/20 0.68

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
SCHEMBL9993267 0.97 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL30456667 0.97 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL30217549 0.97 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL572182 0.97 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL31720497 0.97 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL30637576 0.97 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
Petiolaroside SCHEMBL31720335 0.93 KDM4E (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL30668520 0.93 KDM4E (0.79) P4HBAKR1B1CA12CA2CA4
Petiolaroside SCHEMBL30217574 0.93 KDM4E (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL16240881 0.93 KDM4E (0.79) P4HBAKR1B1CA12CA2CA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138182-B1 Method for producing medicine based on herbs STEIGERWALD ARZNEIMITTELWERK (DE) 2015-08-26 EP disclosed
US-7985433-B2 Method for the production of a plant-based medicament STEIGERWALD ARZNEIMITTELWERK GMBH (DE) 2011-07-26 US disclosed
US-20090324755-A1 Method for the production of a plant-based medicament STEIGERWALD ARZNEIMITTELWERK GMBH (DE) 2009-12-31 US disclosed
EP-2138182-A2 Method for producing medicine based on herbs Steigerwald Arzneimittelwerk GmbH (DE) 2009-12-30 EP disclosed