SCHEMBL7459362

SCHEMBL7459362

CCOP(=O)(OCC)c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ACHE P22303 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KCNH2 Q12809 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
AOX1 Q06278 1/20 0.41
POLB P06746 1/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1I2 O75469 1/20 0.39

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
SCHEMBL358474 0.83 MEN1 (0.59) CA12CA1CA2CA4CA5A
SCHEMBL6829825 0.81 TDP1 (0.49) CA12CA1CA2CA4CA5A
SCHEMBL31482559 0.80 MEN1 (0.49) CA12CA1CA2CA4CA5A
Triphenylphosphine Oxide SCHEMBL8846399 0.80 MEN1 (0.60) CA12CA1CA2CA4CA5A
Diethyl Hydrogen Phosphate SCHEMBL27779642 0.79 TSHR (0.48) MEN1KMT2AACHENPSR1KCNH2
SCHEMBL9505701 0.79 POLB (0.46) MEN1KMT2AACHENPSR1KCNH2
Phosphoric Acid SCHEMBL28091785 0.78 MEN1 (0.58) CA12CA1CA2CA4CA5A
SCHEMBL29445804 0.77 MEN1 (0.53) CA12CA1CA2CA4CA5A
SCHEMBL9407115 0.75 TDP1 (0.45) CA12CA1CA2CA4CA5A
SCHEMBL28087764 0.75 TDP1 (0.55) CA2CA4CA5AMEN1KMT2A

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
EP-0807637-B1 Process for the preparation of tertiary phosphanes containing phosphinate or phosphonate groups and novel tertiary phosphanes containing phosphinate groups CELANESE CHEM EUROPE GMBH (DE) 2002-02-13 EP disclosed
US-5801263-A Process for preparing tertiary phosphines containing phosphinate or phosphonate groups, and novel tertiary phosphines containing phosphinate groups HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-01 US disclosed
EP-0807637-A1 Process for the preparation of tertiary phosphanes containing phosphinate or phosphonate groups and novel tertiary phosphanes containing phosphinate groups HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed