SCHEMBL258565

SCHEMBL258565

C=C(C)C(=O)OCCOCCOP(=O)(CCC(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
AOX1 Q06278 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL258550 0.96 AOX1 (0.38) THRBAOX1POLBAPEX1HTT
SCHEMBL258572 0.89 POLB (0.41) THRBAOX1POLBAPEX1HTT
SCHEMBL13109399 0.82 AOX1 (0.36) AOX1POLBAPEX1HTTTDP1
SCHEMBL25705259 0.82 NPSR1 (0.49) AOX1POLBMEN1KMT2ALMNA
SCHEMBL28483737 0.81 MEN1 (0.41) AOX1MEN1KMT2ALMNANPSR1
SCHEMBL13109382 0.80 LPAR1 (0.38) AOX1POLBLMNANPSR1SMN1; SMN2
SCHEMBL258655 0.78 THRB (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL13109386 0.78 AOX1 (0.34) AOX1POLBNPSR1SMN1; SMN2PKM
SCHEMBL17263538 0.78 KMT2A (0.54) THRBPOLBAPEX1HTTTDP1
SCHEMBL717904 0.78 THRB (0.44) THRBPOLBAPEX1HTTTDP1

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
US-8063123-B2 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT FINANCE (BVI) LIMITED (VG) 2011-11-22 US disclosed
US-20070225414-A1 Phosphorus-containing mixtures, a process for their preparation and their use CLARIANT INTERNATIONAL LTD 2007-09-27 US disclosed