SCHEMBL2997406

SCHEMBL2997406

O=P(O)(O)c1ccc(Oc2ccc(O)cc2)cc1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ESR1 P03372 2/20 0.58
ESR2 Q92731 1/20 0.58
LTA4H P09960 5/20 0.50
NR1H2 P55055 1/20 0.50
BAX Q07812 1/20 0.50
KDM4E B2RXH2 1/20 0.48
PARP10 Q53GL7 1/20 0.47
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
PTPN1 P18031 1/20 0.41

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
SCHEMBL2997700 0.87 CA2 (0.55) MEN1KMT2AESR1ESR2KDM4E
SCHEMBL915277 0.84 CA2 (0.57) MEN1KMT2AESR1ESR2KDM4E
SCHEMBL2173776 0.81 CA2 (0.62) LTA4HNR1H2BAXPARP10CA2
SCHEMBL27395622 0.79 TSHR (0.56) MEN1KMT2ACA2CA4CA5A
SCHEMBL8388495 0.79 LTA4H (0.54) MEN1KMT2ALTA4HPARP10CA2
SCHEMBL27604398 0.79 CA2 (0.54) MEN1KMT2AKDM4ECA2CA4
SCHEMBL9331117 0.79 MMP2 (0.54) MEN1KMT2AESR1ESR2LTA4H
Pyrophosphoric Acid SCHEMBL28166665 0.78 MEN1 (0.64) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL28886060 0.78 ESR1 (0.55) MEN1KMT2AESR1ESR2KDM4E
SCHEMBL2997405 0.78 MEN1 (0.56) MEN1KMT2AESR1ESR2LTA4H

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-20100197815-A1 Polyparaphenylene Hydrocarbon Electrolyte, Manufacture Method Therefor, and Polyparaphenylene as well as Electrolyte Membrane, Catalyst Layer and Solid Polymer Fuel Cell TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
EP-1999179-A2 POLYPARAPHENYLENE HYDROCARBON ELECTROLYTE, MANUFACTURE METHOD THEREFOR, AND POLYPARAPHENYLENE AS WELL AS ELECTROLYTE MEMBRANE, CATALYST LAYER AND SOLID POLYMER FUEL CELL TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2008-12-10 EP disclosed
WO-2007110766-A2 POLYPARAPHENYLENE HYDROCARBON ELECTROLYTE, MANUFACTURE METHOD THEREFOR, AND POLYPARAPHENYLENE AS WELL AS ELECTROLYTE MEMBRANE, CATALYST LAYER AND SOLID POLYMER FUEL CELL TOYOTA JIDOSHA KABUSHIKI KAISHA (DE) 2007-10-04 WO disclosed