SCHEMBL13981237

SCHEMBL13981237

CCOP(=O)(Cc1ccc(CP(=O)(O)O)cc1)OCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.51
PGK1 P00558 5/20 0.47
PGK2 P07205 5/20 0.47
NPY5R Q15761 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
TSHR P16473 1/20 0.41
PPARD Q03181 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 1/20 0.39
HTT P42858 1/20 0.39
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 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
SCHEMBL3375825 0.90 TSHR (0.50) NPY5RTSHRPPARDPOLBMAPT
SCHEMBL283016 0.85 EGFR (0.47) NPY5RTSHRPPARDPOLBMAPT
SCHEMBL9512480 0.85 PPARD (0.45) ENPP2NPY5RTSHRPPARDPOLB
SCHEMBL2493713 0.84 TSHR (0.44) NPY5RTSHRPPARDPOLBMAPT
SCHEMBL16062693 0.84 POLB (0.46) NPY5RTSHRPPARDPOLBMAPT
SCHEMBL914644 0.83 EGFR (0.46) NPY5RTSHRPPARDPOLBMAPT
SCHEMBL23822678 0.82 TSHR (0.43) NPY5RTSHRPPARDPOLBMAPT
SCHEMBL915242 0.82 TSHR (0.43) NPY5RTSHRPPARDPOLBMAPT
SCHEMBL25923558 0.82 TSHR (0.43) NPY5RTSHRPPARDPOLBMAPT
Hydrogen Peroxide SCHEMBL8609887 0.82 NPY5R (0.49) NPY5RTSHRPOLBMAPT

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
WO-2008145530-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2008-12-04 WO disclosed
WO-2008145529-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2008-12-04 WO disclosed