SCHEMBL4579901

SCHEMBL4579901

O=P(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.45
ESR2 Q92731 6/20 0.44
GAA P10253 1/20 0.42
CA12 O43570 3/20 0.38
MEN1 O00255 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
KMT2A Q03164 2/20 0.38
CA9 Q16790 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CA3 P07451 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TYR P14679 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL4577933 1.00 ESR1 (0.45) ESR1ESR2GAACA12MEN1
Hydrogen Peroxide SCHEMBL8672190 0.87 BCL2L1 (0.46) CA12MEN1CA1CA2KMT2A
Hydrogen Peroxide SCHEMBL8672187 0.87 BCL2L1 (0.46) CA12MEN1CA1CA2KMT2A
SCHEMBL811982 0.87 ESR1 (0.54) ESR1ESR2CA12MEN1CA1
SCHEMBL9927352 0.87 CES2 (0.39) CA12CA1CA2CA9NPC1
SCHEMBL779999 0.87 CES2 (0.39) CA12CA1CA2CA9NPC1
SCHEMBL11991140 0.82 BCL2L1 (0.46) CA12CA1CA2CA9KDM4E
SCHEMBL78213 0.79
SCHEMBL18867938 0.79
SCHEMBL4429088 0.78 ESR1 (0.71) ESR1ESR2GAACA12MEN1

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
US-7396895-B2 Branched polyarylene ethers and processes for the preparation thereof XEROX CORPORATION (US) 2008-07-08 US disclosed
US-7067608-B2 Process for preparing branched polyarylene ethers XEROX CORPORATION (US) 2006-06-27 US disclosed
US-20050208416-A1 Branched polyarylene ethers and processes for the preparation thereof XEROX CORPORATION 2005-09-22 US disclosed
US-20050154178-A1 Process for preparing branched polyarylene ethers XEROX CORPORATION 2005-07-14 US disclosed