SCHEMBL258657

SCHEMBL258657

C=C(C)C(=O)OCCOCCOC(=O)CCP(=O)(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 3/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL258548 0.96 CFTR (0.46) CFTRSMN1; SMN2PKMTHRBALDH1A1
SCHEMBL258577 0.91 POLB (0.45) CFTRSMN1; SMN2PKMTHRBALDH1A1
SCHEMBL13109398 0.83 ALDH1A1 (0.41) CFTRSMN1; SMN2PKMALDH1A1POLB
SCHEMBL13109378 0.82 LPAR1 (0.44) CFTRSMN1; SMN2PKMALDH1A1POLB
SCHEMBL13109387 0.80 SMN1; SMN2 (0.40) CFTRSMN1; SMN2PKMALDH1A1TDP1
SCHEMBL13498174 0.79 CFTR (0.50) CFTRSMN1; SMN2PKMALDH1A1TDP1
SCHEMBL13109392 0.79 POLB (0.40) CFTRSMN1; SMN2PKMALDH1A1POLB
SCHEMBL28394902 0.79 CFTR (0.44) CFTRSMN1; SMN2PKMALDH1A1TDP1
SCHEMBL258498 0.79 THRB (0.51) THRBALDH1A1TDP1POLBAPEX1
SCHEMBL258599 0.79 ALDH1A1 (0.44) CFTRSMN1; SMN2PKMALDH1A1POLB

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