SCHEMBL4339728

SCHEMBL4339728

O=P(O)(Oc1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
PTPN1 P18031 1/20 0.42
SRC P12931 1/20 0.40
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LTA4H P09960 2/20 0.37
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37

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
SCHEMBL22499731 0.90 CA2 (0.63) CA1CA2CA12CA4CA5A
SCHEMBL1618715 0.81 CA1 (0.49) CA1CA2CA12CA4CA5A
SCHEMBL28515962 0.81 TSHR (0.59) CA1CA2CA12CA4CA5A
SCHEMBL20819121 0.80 CA2 (0.71) CA1CA2CA12CA4CA5A
SCHEMBL29717515 0.79 CES2 (0.55) CA1CA2CA12CA4CA5A
SCHEMBL131227 0.79 SRC (0.62) CA1CA2MEN1KMT2AKDM4E
SCHEMBL2294008 0.79 ESR1 (0.54) CA1CA2CA12CA4CA5A
SCHEMBL2964442 0.78 CA1 (0.50) CA1CA2CA12CA4CA5A
SCHEMBL28420405 0.77 SRC (0.60) CA1CA2MEN1KMT2AKDM4E
SCHEMBL28468891 0.77 SRC (0.60) CA1CA2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090297752-A1 POLYESTER RESIN, POLYESTER RESIN COMPOSITION THEREFROM AND USE THEREOF TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-12-03 US disclosed
US-20070106055-A1 Polyester polymerization catalyst, polyester produced therewith and process for producing the polyester TOYO BOSEKI KABUSHIKI KAISHA (JP) 2007-05-10 US disclosed
EP-1719790-A1 POLYESTER POLYMERIZATION CATALYST, POLYESTER PRODUCED THEREWITH AND PROCESS FOR PRODUCING THE POLYESTER Toyo Boseki Kabushiki Kaisha (JP) 2006-11-08 EP disclosed