SCHEMBL491746

SCHEMBL491746

C=CC(=O)Nc1ccc(CP(=O)(OCC)OCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.57
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
TGM2 P21980 11/20 0.50
F13A1 P00488 2/20 0.46
TGM1 P22735 2/20 0.46
LMNA P02545 1/20 0.46
TGM3 Q08188 1/20 0.46
NPY5R Q15761 1/20 0.45
PTK2 Q05397 1/20 0.41

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
SCHEMBL19331999 0.82 NPY5R (0.48) BTKNPY5RPTK2
SCHEMBL1486740 0.82 KMT2A (0.53) LMNANPY5R
SCHEMBL491489 0.81 RXFP1 (0.47) BTKLMNANPY5RPTK2
SCHEMBL21052610 0.79 TGM2 (0.54) THRATHRBTGM2F13A1TGM1
SCHEMBL3024941 0.79 ENPP2 (0.46) NPY5R
SCHEMBL5277253 0.79 NPY5R (0.43) BTKNPY5RPTK2
SCHEMBL13714950 0.78 NPY5R (0.44) BTKLMNANPY5RPTK2
Hydrochloric Acid SCHEMBL3024939 0.78 ENPP2 (0.45) NPY5R
SCHEMBL5280572 0.78 ENPP2 (0.45) BTKNPY5R
SCHEMBL1132464 0.77 THRA (0.67) THRATHRBTGM2F13A1TGM1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105689-B2 Adhesive, coating or film composition applied to a surface BASF SE (DE) 2012-01-31 US disclosed
US-8105689-B2 Adhesive, coating or film composition applied to a surface BASF SE (DE) 2012-01-31 US disclosed
US-8105689-B2 Adhesive, coating or film composition applied to a surface BASF SE (DE) 2012-01-31 US disclosed
CN-101218267-B (meth) acrylamide phosphorus-containing monomer composition CIBA SC HOLDING AG 2011-07-13 CN disclosed
EP-1902078-B1 (METH)ACRYLAMIDE PHOSPHORUS MONOMER COMPOSITION BASF SE (DE) 2011-06-22 EP disclosed
CN-101218267-A (meth) acrylamide phosphorus-containing monomer composition CIBA SC HOLDING AG (CH) 2008-07-09 CN disclosed
EP-1902078-A1 (METH)ACRYLAMIDE PHOSPHORUS MONOMER COMPOSITION Ciba Specialty Chemicals Holding, Inc. (CH) 2008-03-26 EP disclosed
US-20070028805-A1 (Meth)acrylamide phosphorus monomer compositions BASF SE (DE) 2007-02-08 US disclosed
US-20070028805-A1 (Meth)acrylamide phosphorus monomer compositions BASF SE (DE) 2007-02-08 US disclosed
US-20070028805-A1 (Meth)acrylamide phosphorus monomer compositions BASF SE (DE) 2007-02-08 US disclosed
WO-2007006648-A1 (METH)ACRYLAMIDE PHOSPHORUS MONOMER COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-18 WO disclosed
WO-2007006648-A1 (METH)ACRYLAMIDE PHOSPHORUS MONOMER COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-18 WO disclosed