SCHEMBL258550

SCHEMBL258550

C=C(C)C(=O)OCCOP(=O)(CCC(=O)O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA2 P00918 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.33
ELANE P08246 1/20 0.33
CA1 P00915 1/20 0.33
LMNA P02545 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
SCHEMBL258565 0.96 THRB (0.41) AOX1THRBPOLBAPEX1HTT
SCHEMBL258572 0.93 POLB (0.41) AOX1THRBPOLBAPEX1HTT
SCHEMBL13109399 0.85 AOX1 (0.36) AOX1POLBAPEX1HTTTDP1
SCHEMBL25705259 0.85 NPSR1 (0.49) AOX1POLBNPSR1CA2PKM
SCHEMBL13109382 0.83 LPAR1 (0.38) AOX1POLBNPSR1PKMSMN1; SMN2
SCHEMBL13109386 0.81 AOX1 (0.34) AOX1POLBNPSR1PKMSMN1; SMN2
SCHEMBL717904 0.81 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL17263538 0.81 KMT2A (0.54) THRBPOLBAPEX1HTTTDP1
SCHEMBL258493 0.81 THRB (0.50) AOX1THRBTDP1NPSR1CA2
SCHEMBL13109393 0.80 DGAT1 (0.34) AOX1POLBNPSR1PKMSMN1; SMN2

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